Molecule

ID:57752

General Information
Structure
Molecular Formula
C₁₅H₁₅N₃O₄S₂
Molecular Mass
365.4273
Exact Mass
365.05039798
Charge
0
InChI
InChI=1S/C15H15N3O4S2/c1-10-7-8-13(11(2)9-10)24(21,22)18-16-15-12-5-3-4-6-14(12)23(19,20)17-15/h3-9,18H,1-2H3,(H,16,17)
InChIKey
QARULBNZWNDVPO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)S(=O)(=O)NNC1=NS(=O)(=O)c2c1cccc2
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)NNS(=O)(=O)c1c(cc(cc1)C)C
Calculated Properties
JChem
Acid pKa
10.378363
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
2.17835
LogD (pH = 7.4)
2.1815517
Log P
2.17833
Molar Refractivity
101.5646
Polarizability
35.889194
Polar Surface Area
104.7
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