Molecule

ID:92311

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
HSDAJNMJOMSNEV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)OCc1ccccc1
Isomeric Smiles
O(Cc1ccccc1)C(=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
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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