Molecule

ID:134992

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl
Molecular Mass
138.59418
Exact Mass
138.0236279
Charge
0
InChI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey
KTZVZZJJVJQZHV-UHFFFAOYSA-N
Canonic Smiles
C=Cc1ccc(cc1)Cl
Isomeric Smiles
c1cc(ccc1C=C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3139925
LogD (pH = 7.4)
3.3139925
Log P
3.3139925
Molar Refractivity
40.5491
Polarizability
15.719085
Polar Surface Area
0.0
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