Molecule

ID:90446

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClN₃
Molecular Mass
165.57976
Exact Mass
165.00937482
Charge
0
InChI
InChI=1S/C7H4ClN3/c8-7-3-5-6(4-11-7)10-2-1-9-5/h1-4H
InChIKey
JZAAFHCCXSMDIE-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(c1)nccn2
Isomeric Smiles
n1ccnc2c1cnc(c2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9056268
LogD (pH = 7.4)
0.9056278
Log P
0.9056278
Molar Refractivity
41.1596
Polarizability
17.08786
Polar Surface Area
38.67
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