Molecule

ID:27670

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₂S₂
Molecular Mass
296.40834
Exact Mass
296.06531976
Charge
0
InChI
InChI=1S/C13H16N2O2S2/c16-19(17,15-9-3-1-2-4-10-15)13-7-5-12(6-8-13)14-11-18/h5-8H,1-4,9-10H2
InChIKey
DXVSAGFLARHWIP-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCCCC1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3433883
LogD (pH = 7.4)
3.3433888
Log P
3.3433888
Molar Refractivity
81.8152
Polarizability
31.614819
Polar Surface Area
49.74
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