Molecule

ID:63926

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey
OQRXBXNATIHDQO-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)N)N
Isomeric Smiles
c1c(ncc(c1N)N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2554009
LogD (pH = 7.4)
-0.08085171
Log P
-0.07805666
Molar Refractivity
39.168
Polarizability
13.6658945
Polar Surface Area
64.93
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