Molecule

ID:14890

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₅S
Molecular Mass
231.27696
Exact Mass
231.05786631
Charge
0
InChI
InChI=1S/C10H9N5S/c1-6-12-13-10-15(6)14-9(16-10)7-2-4-8(11)5-3-7/h2-5H,11H2,1H3
InChIKey
GSZZPZBMJBFRPF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nn2c(s1)nnc2C
Isomeric Smiles
c1(c2ccc(cc2)N)nn2c(s1)nnc2C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0630344
LogD (pH = 7.4)
1.0636916
Log P
1.0637
Molar Refractivity
96.068
Polarizability
23.41841
Polar Surface Area
69.1
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