Molecule

ID:70972

General Information
Structure
Molecular Formula
C₈H₇ClO
Molecular Mass
154.59358
Exact Mass
154.01854252
Charge
0
InChI
InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)8(9)4-6/h2-5H,1H3
InChIKey
OSPMNRDGMUPWNO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1Cl)C
Isomeric Smiles
C(=O)c1c(cc(cc1)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8032143
LogD (pH = 7.4)
2.8032143
Log P
2.8032143
Molar Refractivity
42.488
Polarizability
15.867699
Polar Surface Area
17.07
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
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Molecule Details
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References
Bioactivity
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