Molecule

ID:82865

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl
Molecular Mass
140.61006
Exact Mass
140.03927797
Charge
0
InChI
InChI=1S/C8H9Cl/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3
InChIKey
LZBOHNCMCCSTJX-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1)C
Isomeric Smiles
ClCc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0739093
LogD (pH = 7.4)
3.0739093
Log P
3.0739093
Molar Refractivity
40.9661
Polarizability
15.746989
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