Summary

IMPPAT Phytochemical identifier: IMPHY016084

Phytochemical name: (Z)-phenylacetaldoxime

Synonymous chemical names:
(e)-phenylacetaldoxime

External chemical identifiers:
CID:9638853, ChEBI:47793, ZINC:ZINC000095628042, SureChEMBL:SCHEMBL265957, MolPort-001-815-679

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Chemical structure information

SMILES:
O/N=C/Cc1ccccc1

InChI:
InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+

InChIKey:
CXISHLWVCSLKOJ-VQHVLOKHSA-N

DeepSMILES:
O/N=C/Ccccccc6

Functional groups:
C/C=N/O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.481

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Chemical structure download