Molecule

ID:7232

General Information
Structure
Molecular Formula
C₇H₇ClO
Molecular Mass
142.58288
Exact Mass
142.01854252
Charge
0
InChI
InChI=1S/C7H7ClO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,1H3
InChIKey
KKFPXGXMSBBNJI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)O)C
Isomeric Smiles
c1(cc(ccc1C)Cl)O
Calculated Properties
JChem
Acid pKa
9.132839
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.787046
LogD (pH = 7.4)
2.7792327
Log P
2.7871466
Molar Refractivity
37.8849
Polarizability
14.56477
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation