Molecule

ID:8561

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2
InChIKey
DWSUJONSJJTODA-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc2c(c1)OCO2
Isomeric Smiles
C(Cl)c1cc2c(cc1)OCO2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1837213
LogD (pH = 7.4)
2.1837213
Log P
2.1837213
Molar Refractivity
41.6918
Polarizability
16.483854
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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