Molecule

ID:63395

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)
InChIKey
RORAIVYFQFAIAF-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(n1)cc[nH]2
Isomeric Smiles
c12[nH]ccc1nc(Cl)cn2
Calculated Properties
JChem
Acid pKa
13.941678
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.21389
LogD (pH = 7.4)
1.2141932
Log P
1.2141972
Molar Refractivity
38.2774
Polarizability
15.038422
Polar Surface Area
41.57
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