Molecule

ID:30023

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2
InChIKey
PPPIAEPDQPCIIM-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1ccc(cc1)O
Isomeric Smiles
C(=O)(c1ccc(cc1)O)CCl
Calculated Properties
JChem
Acid pKa
7.728354
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7621295
LogD (pH = 7.4)
1.5988579
Log P
1.7646718
Molar Refractivity
43.1949
Polarizability
16.51977
Polar Surface Area
37.3
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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