Molecule

ID:53279

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClO
Molecular Mass
166.60428
Exact Mass
166.01854252
Charge
0
InChI
InChI=1S/C9H7ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKey
SMSGJDOJSQHQIW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=O)CC2
Isomeric Smiles
C1(=O)CCc2ccc(cc12)Cl
Calculated Properties
JChem
Acid pKa
16.01462
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4406006
LogD (pH = 7.4)
2.4406006
Log P
2.4406006
Molar Refractivity
44.5305
Polarizability
17.041159
Polar Surface Area
17.07
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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