Molecule

ID:87538

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClN
Molecular Mass
127.57154
Exact Mass
127.01887688
Charge
0
InChI
InChI=1S/C6H6ClN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2
InChIKey
NJWIMFZLESWFIM-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccn1
Isomeric Smiles
n1c(cccc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4065783
LogD (pH = 7.4)
1.4240595
Log P
1.4242873
Molar Refractivity
33.2458
Polarizability
13.086979
Polar Surface Area
12.89
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
暂无数据
点击上传数据
References
Bioactivity
Navigation