Molecule

ID:53360

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N₃O₃S
Molecular Mass
301.32044
Exact Mass
301.05211223
Charge
0
InChI
InChI=1S/C14H11N3O3S/c1-21-13-15-7-10-11(16-13)17(14(19)20-12(10)18)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey
DZJDHZOCTGDHQL-UHFFFAOYSA-N
Canonic Smiles
CSc1ncc2c(n1)n(Cc1ccccc1)c(=O)oc2=O
Isomeric Smiles
n1c(nc2c(c1)c(=O)oc(=O)n2Cc1ccccc1)SC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.042596
LogD (pH = 7.4)
3.0425978
Log P
3.0425978
Molar Refractivity
79.2375
Polarizability
29.831327
Polar Surface Area
72.39
Rotatable Bonds
3
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