Molecule

ID:92006

General Information
Structure
Molecular Formula
C₈H₉ClO
Molecular Mass
156.60946
Exact Mass
156.03419259
Charge
0
InChI
InChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3
InChIKey
QYUQVBHGBPRDKN-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(O)C
Isomeric Smiles
Clc1cccc(c1)C(C)O
Calculated Properties
JChem
Acid pKa
14.711645
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2265158
LogD (pH = 7.4)
2.2265158
Log P
2.2265158
Molar Refractivity
42.0975
Polarizability
16.486609
Polar Surface Area
20.23
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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