Molecule

ID:71240

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClN₃
Molecular Mass
167.59564
Exact Mass
167.02502489
Charge
0
InChI
InChI=1S/C7H6ClN3/c1-5-9-4-6-2-3-7(8)10-11(5)6/h2-4H,1H3
InChIKey
JNADBLXMSKZXHQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(C)nc2
Isomeric Smiles
c12ccc(nn1c(nc2)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0702156
LogD (pH = 7.4)
1.2491404
Log P
1.2521155
Molar Refractivity
54.4807
Polarizability
16.779161
Polar Surface Area
30.19
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