Molecule

ID:70714

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClN
Molecular Mass
153.60882
Exact Mass
153.03452694
Charge
0
InChI
InChI=1S/C8H8ClN/c9-7-4-5-10-8-3-1-2-6(7)8/h4-5H,1-3H2
InChIKey
IGDLNAWHTASKKG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1CCC2
Isomeric Smiles
c12c(c(ccn1)Cl)CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1475406
LogD (pH = 7.4)
2.239894
Log P
2.2412195
Molar Refractivity
41.1633
Polarizability
15.939948
Polar Surface Area
12.89
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
暂无数据
点击上传数据
References
Bioactivity
Navigation