Molecule

ID:57160

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3/b5-4+
InChIKey
WNVMEYJIQAAXGD-SNAWJCMRSA-N
Canonic Smiles
Cc1ccc(o1)/C=C/C(=O)Cl
Isomeric Smiles
Cc1ccc(/C=C/C(=O)Cl)o1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9292239
LogD (pH = 7.4)
1.9292239
Log P
1.9292239
Molar Refractivity
44.459
Polarizability
16.290226
Polar Surface Area
30.21
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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