Molecule

ID:83434

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₄S
Molecular Mass
226.68598
Exact Mass
226.00799492
Charge
0
InChI
InChI=1S/C8H7ClN4S/c9-6-14-8-10-11-12-13(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
UHLZYOFBISYKRA-UHFFFAOYSA-N
Canonic Smiles
ClCSc1nnnn1c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(nnn1)SCCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6329842
LogD (pH = 7.4)
2.6329842
Log P
2.6329842
Molar Refractivity
59.7123
Polarizability
22.419975
Polar Surface Area
43.6
Rotatable Bonds
3
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