Summary

IMPPAT Phytochemical identifier: IMPHY017900

Phytochemical name: Furazane-3-carbohydrazide, 4-amino-N2-(2-chlorobenzylideno)-

Synonymous chemical names:
furazane-3-carbohydrazide,4-amino-n2-(2-chlorobenzylideno)

External chemical identifiers:
CID:9579755, ZINC:ZINC000000035902, MolPort-002-792-360

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Chemical structure information

SMILES:
Clc1ccccc1/C=N/NC(=O)c1nonc1N

InChI:
InChI=1S/C10H8ClN5O2/c11-7-4-2-1-3-6(7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17)/b13-5+

InChIKey:
UVOMLBOQNYUYTK-WLRTZDKTSA-N

DeepSMILES:
Clcccccc6/C=N/NC=O)cnonc5N

Functional groups:
c/C=N/NC(c)=O, c1cnon1, cCl, cN

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(NN=Cc1ccccc1)c1cnon1

Scaffold Graph/Node level:
OC(NNCC1CCCCC1)C1CNON1

Scaffold Graph level:
CC(CCCC1CCCCC1)C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Halobenzenes

NP-Likeness score: -2.504

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Chemical structure download