Molecule

ID:30135

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClN₄
Molecular Mass
204.6158
Exact Mass
204.02027386
Charge
0
InChI
InChI=1S/C9H5ClN4/c10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8/h1-5H
InChIKey
NLAAGSHTVZHFTR-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ccccc2n2c1nnc2
Isomeric Smiles
c12n(c3c(nc1Cl)cccc3)cnn2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.81035167
LogD (pH = 7.4)
0.8103751
Log P
0.8103754
Molar Refractivity
55.8175
Polarizability
20.991728
Polar Surface Area
43.08
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