Molecule

ID:53359

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉N₃O₃S
Molecular Mass
287.29386
Exact Mass
287.03646216
Charge
0
InChI
InChI=1S/C13H9N3O3S/c1-20-12-14-7-9-10(15-12)16(13(18)19-11(9)17)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
VLUFDSGXDUXIDZ-UHFFFAOYSA-N
Canonic Smiles
CSc1ncc2c(n1)n(c1ccccc1)c(=O)oc2=O
Isomeric Smiles
n1c(nc2c(c1)c(=O)oc(=O)n2c1ccccc1)SC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.9760818
LogD (pH = 7.4)
2.976083
Log P
2.976083
Molar Refractivity
74.4025
Polarizability
27.984089
Polar Surface Area
72.39
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