Molecule

ID:57151

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₂O
Molecular Mass
201.04934
Exact Mass
199.97957017
Charge
0
InChI
InChI=1S/C9H6Cl2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H/b6-3+
InChIKey
ZFOVCSTVYYYRSU-ZZXKWVIFSA-N
Canonic Smiles
ClC(=O)/C=C/c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(/C=C/c1ccc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2734606
LogD (pH = 7.4)
3.2734606
Log P
3.2734606
Molar Refractivity
51.7232
Polarizability
19.496492
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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