Molecule

ID:36716

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₄
Molecular Mass
194.62098
Exact Mass
194.03592392
Charge
0
InChI
InChI=1S/C8H7ClN4/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
KASHDYDHJFKPQK-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnnn1c1ccccc1
Isomeric Smiles
c1ccccc1n1c(nnn1)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6710787
LogD (pH = 7.4)
1.6710787
Log P
1.6710787
Molar Refractivity
52.1868
Polarizability
19.334324
Polar Surface Area
43.6
Rotatable Bonds
2
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