Z-Phenylacetaldoxime

Details

• Internal ID: 292d2689-8b78-4ff6-9609-9f0cd41d3a97
• Taxonomy: Benzenoids > Benzene and substituted derivatives
• IUPAC Name: (NZ)-N-(2-phenylethylidene)hydroxylamine
• SMILES (Canonical): C1=CC=C(C=C1)CC=NO
• SMILES (Isomeric): C1=CC=C(C=C1)C/C=N\O
• InChI: InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7-
• InChI Key: CXISHLWVCSLKOJ-CLFYSBASSA-N
• Popularity: 24 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.16 g/mol
• Exact Mass: 135.068413911 g/mol
• Topological Polar Surface Area (TPSA): 32.60 Ų
• XlogP: 2.00

Synonyms

• (Z)-Phenylacetaldehyde oxime
• (Z)-phenylacetaldoxime
• (E)-N-(2-phenylethylidene)hydroxylamine
• 7028-48-0
• N-(2-Phenylethylidene)hydroxylamine
• (trans)-phenylacetaldoxime
• (1Z)-phenylacetaldehyde oxime
• SCHEMBL5665711
• CHEBI:50723
• (Z)-N-phenethylidene-hydroxylamine
• Q27120792

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	92.76%	94.62%
CHEMBL2581	P07339	Cathepsin D	90.42%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.48%	91.11%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	83.24%	94.23%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.13%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.62%	95.56%
CHEMBL240	Q12809	HERG	82.26%	89.76%
CHEMBL3902	P09211	Glutathione S-transferase Pi	80.76%	93.81%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 5939523
• LOTUS: LTS0091695
• wikiData: Q27104778