Molecule

ID:43982

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClN₃
Molecular Mass
153.56906
Exact Mass
153.00937482
Charge
0
InChI
InChI=1S/C6H4ClN3/c7-5-1-2-6-9-8-4-10(6)3-5/h1-4H
InChIKey
XPQSFULFENPUOO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1)cnn2
Isomeric Smiles
n12c(nnc2)ccc(c1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.40269354
LogD (pH = 7.4)
0.4031368
Log P
0.40314245
Molar Refractivity
40.9574
Polarizability
14.330706
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