Carbon tetrabromide

Details

Top
Internal ID 7b265702-3a24-4230-9bc0-6c230c257846
Taxonomy Organohalogen compounds > Alkyl halides > Halomethanes
IUPAC Name tetrabromomethane
SMILES (Canonical) C(Br)(Br)(Br)Br
SMILES (Isomeric) C(Br)(Br)(Br)Br
InChI InChI=1S/CBr4/c2-1(3,4)5
InChI Key HJUGFYREWKUQJT-UHFFFAOYSA-N
Popularity 1,036 references in papers

Physical and Chemical Properties

Top
Molecular Formula CBr4
Molecular Weight 331.63 g/mol
Exact Mass 331.66925 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 3.40
Atomic LogP (AlogP) 3.18
H-Bond Acceptor 0
H-Bond Donor 0
Rotatable Bonds 0

Synonyms

Top
TETRABROMOMETHANE
558-13-4
Methane, tetrabromo-
Carbon bromide
Methane tetrabromide
CBr4
Carbon bromide (CBr4)
Carbontetrabromide
Bromid uhlicity
Methane, tetrabromide
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Carbon tetrabromide

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
Human Intestinal Absorption + 0.9803 98.03%
Caco-2 + 0.6191 61.91%
Blood Brain Barrier + 1.0000 100.00%
Human oral bioavailability + 0.8143 81.43%
Subcellular localzation Mitochondria 0.5325 53.25%
OATP2B1 inhibitior - 0.8739 87.39%
OATP1B1 inhibitior + 0.9763 97.63%
OATP1B3 inhibitior + 0.9564 95.64%
MATE1 inhibitior - 1.0000 100.00%
OCT2 inhibitior - 1.0000 100.00%
BSEP inhibitior - 0.9246 92.46%
P-glycoprotein inhibitior - 0.9843 98.43%
P-glycoprotein substrate - 0.9970 99.70%
CYP3A4 substrate - 0.8421 84.21%
CYP2C9 substrate - 0.5965 59.65%
CYP2D6 substrate - 0.7751 77.51%
CYP3A4 inhibition - 0.9518 95.18%
CYP2C9 inhibition - 0.7798 77.98%
CYP2C19 inhibition - 0.7762 77.62%
CYP2D6 inhibition - 0.9571 95.71%
CYP1A2 inhibition - 0.6687 66.87%
CYP2C8 inhibition - 0.9940 99.40%
CYP inhibitory promiscuity - 0.8812 88.12%
UGT catelyzed - 0.0000 0.00%
Carcinogenicity (binary) + 0.6729 67.29%
Carcinogenicity (trinary) Non-required 0.5055 50.55%
Eye corrosion - 0.8873 88.73%
Eye irritation + 0.9889 98.89%
Skin irritation + 0.8985 89.85%
Skin corrosion - 0.6662 66.62%
Ames mutagenesis - 0.6400 64.00%
Human Ether-a-go-go-Related Gene inhibition - 0.7654 76.54%
Micronuclear - 0.6100 61.00%
Hepatotoxicity + 0.9375 93.75%
skin sensitisation + 0.8536 85.36%
Respiratory toxicity - 0.9667 96.67%
Reproductive toxicity - 0.5497 54.97%
Mitochondrial toxicity - 0.7973 79.73%
Nephrotoxicity + 0.5646 56.46%
Acute Oral Toxicity (c) II 0.3483 34.83%
Estrogen receptor binding - 0.9185 91.85%
Androgen receptor binding - 0.9514 95.14%
Thyroid receptor binding - 0.8092 80.92%
Glucocorticoid receptor binding - 0.9042 90.42%
Aromatase binding - 0.9030 90.30%
PPAR gamma - 0.8799 87.99%
Honey bee toxicity - 0.7593 75.93%
Biodegradation - 0.6250 62.50%
Crustacea aquatic toxicity + 0.7800 78.00%
Fish aquatic toxicity + 0.7439 74.39%

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
No predicted targets yet!

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Ainsliaea dissecta
Platycarphella carlinoides
Pulicaria dysenterica
Uncaria homomalla

Cross-Links

Top
PubChem 11205
NPASS NPC12798