N-Nitrosomorpholine

Details

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Internal ID f11ae998-ea8a-4e1e-8c61-1fc2479e91a3
Taxonomy Organoheterocyclic compounds > Oxazinanes > Morpholines
IUPAC Name 4-nitrosomorpholine
SMILES (Canonical) C1COCCN1N=O
SMILES (Isomeric) C1COCCN1N=O
InChI InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
InChI Key ZKXDGKXYMTYWTB-UHFFFAOYSA-N
Popularity 1,006 references in papers

Physical and Chemical Properties

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Molecular Formula C4H8N2O2
Molecular Weight 116.12 g/mol
Exact Mass 116.058577502 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP -0.40

Synonyms

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4-Nitrosomorpholine
59-89-2
Nitrosomorpholine
Morpholine, 4-nitroso-
NMOR
N-Nitrosomorpholin
Morpholine, N-nitroso-
N-Nitrosomorfolin
NCI-C02164
4-Nitroso-morpholine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N-Nitrosomorpholine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL4040 P28482 MAP kinase ERK2 93.34% 83.82%
CHEMBL4588 P22894 Matrix metalloproteinase 8 82.97% 94.66%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.75% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.67% 85.14%
CHEMBL230 P35354 Cyclooxygenase-2 81.32% 89.63%

Plants that contains it

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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.
Nicotiana tabacum

Cross-Links

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PubChem 6046
LOTUS LTS0138855
wikiData Q22138414