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ZINC00937127 N'-[2-(4-bromophenoxy)acetyl]-2-chlorobenzohydrazide,Cano

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摘 要:ZINC00937127 N'-[2-(4-bromophenoxy)acetyl]-2-chlorobenzohydrazide,Canonical SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)Br)Cl,InChI: InChI=1/C15H12BrClN2O3/c16-10-5-7-11(8-6-10)22-9-14(20)18-19-15(21)12-3-,1-2-4-13(12)17/h1-8H,9H2,(H,18,20)(H,19
[Synonyms]
ZINC00937127
[Structure]
ZINC00937127 N'-[2-(4-bromophenoxy)acetyl]-2-chlorobenzohydrazide,Cano

[ Properties Computed from Structure]
Molecular Weight383.62438 [g/mol]
Molecular FormulaC15H12BrClN2O3
XLogP4.1
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count4
Exact Mass381.971983
MonoIsotopic Mass381.971983
Topological Polar Surface Area67.4
Heavy Atom Count22
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N'-[2-(4-bromophenoxy)acetyl]-2-chlorobenzohydrazide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NNC(=O)COC2=CC=C(C=C2)Br)Cl
InChI: InChI=1/C15H12BrClN2O3/c16-10-5-7-11(8-6-10)22-9-14(20)18-19-15(21)12-3-
1-2-4-13(12)17/h1-8H,9H2,(H,18,20)(H,19,21)/f/h18-19H

 
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