Molecule

ID:73863

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₄O
Molecular Mass
210.62038
Exact Mass
210.03083854
Charge
0
InChI
InChI=1S/C8H7ClN4O/c9-7-6(8(14)12-10)11-5-3-1-2-4-13(5)7/h1-4H,10H2,(H,12,14)
InChIKey
HZGMOGDKMHZGBL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1nc2n(c1Cl)cccc2
Isomeric Smiles
n1c2ccccn2c(c1C(=O)NN)Cl
Calculated Properties
JChem
Acid pKa
11.385997
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.01781589
LogD (pH = 7.4)
0.018569795
Log P
0.018619683
Molar Refractivity
53.9328
Polarizability
19.555975
Polar Surface Area
72.42
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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