1-(4-CHLOROPHENYL)ETHAN-1-ONE PHENYLHYDRAZONE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key YYYWZVSFFKHZNV-UHFFFAOYSA-N
Smiles ClC1=CC=C(C=C1)C(=NNC=2C=CC=CC2)C
InChI
InChI=1/C14H13ClN2/c1-11(12-7-9-13(15)10-8-12)16-17-14-5-3-2-4-6-14/h2-10,17H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13ClN2
Molecular Weight 244.08
AlogP 4.18
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 24.39
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 57845-08-6
NORMAN SUSDAT
PubChem 93823
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