Molecule

ID:82767

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₄S
Molecular Mass
331.34642
Exact Mass
331.06267691
Charge
0
InChI
InChI=1S/C15H13N3O4S/c1-10-3-6-12(7-4-10)23(2,21)17-15(19)11-5-8-14-13(9-11)16-22-18(14)20/h3-9H,1-2H3
InChIKey
HLOXTLIHZCLGRU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=NC(=O)c1ccc2c(c1)no[n+]2[O-])(=O)C
Isomeric Smiles
[n+]1(c2c(no1)cc(C(=O)N=S(=O)(c1ccc(cc1)C)C)cc2)[O-]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.0215
LogD (pH = 7.4)
2.0215
Log P
2.0215
Molar Refractivity
106.5735
Polarizability
33.373127
Polar Surface Area
97.99
Rotatable Bonds
2
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