Molecule

ID:7984

General Information
Structure
Molecular Formula
C₇H₇ClO
Molecular Mass
142.58288
Exact Mass
142.01854252
Charge
0
InChI
InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKey
ZSRDNPVYGSFUMD-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(c1)Cl
Isomeric Smiles
c1cc(cc(c1)CO)Cl
Calculated Properties
JChem
Acid pKa
14.900328
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8099407
LogD (pH = 7.4)
1.8099407
Log P
1.8099407
Molar Refractivity
37.6787
Polarizability
14.649082
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation