Molecule

ID:108039

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClO
Molecular Mass
156.60946
Exact Mass
156.03419259
Charge
0
InChI
InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
VWYKSJIPZHRLNO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c(c(c1)C)O
Isomeric Smiles
Cc1cc(Cl)cc(C)c1O
Calculated Properties
JChem
Acid pKa
9.692706
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3005402
LogD (pH = 7.4)
3.298372
Log P
3.3005679
Molar Refractivity
42.9261
Polarizability
16.321558
Polar Surface Area
20.23
Rotatable Bonds
0
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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