Molecule

ID:34018

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₅S₂
Molecular Mass
263.34196
Exact Mass
263.02993731
Charge
0
InChI
InChI=1S/C10H9N5S2/c1-15-8(13-14-10(15)16)7-6(11)5-3-2-4-12-9(5)17-7/h2-4H,11H2,1H3,(H,14,16)
InChIKey
PELKWLYOMVXBFG-UHFFFAOYSA-N
Canonic Smiles
Cn1c(S)nnc1c1sc2c(c1N)cccn2
Isomeric Smiles
c1(c2n(c(nn2)S)C)sc2c(c1N)cccn2
Calculated Properties
JChem
Acid pKa
7.980897
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1124196
LogD (pH = 7.4)
1.0168473
Log P
1.1138222
Molar Refractivity
82.3307
Polarizability
27.110296
Polar Surface Area
69.62
Rotatable Bonds
1
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