Molecule

ID:136156

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
171.58563484
Exact Mass
171.01681198
Charge
0
InChI
InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2/i8+1
InChIKey
HSDAJNMJOMSNEV-VJJZLTLGSA-N
Canonic Smiles
Cl[13C](=O)OCc1ccccc1
Isomeric Smiles
c1ccc(cc1)CO[13C](=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6537483
LogD (pH = 7.4)
2.6537483
Log P
2.6537483
Molar Refractivity
42.7384
Polarizability
16.667994
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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