Molecule

ID:27687

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₂S₂
Molecular Mass
282.38176
Exact Mass
282.0496697
Charge
0
InChI
InChI=1S/C12H14N2O2S2/c15-18(16,14-8-2-1-3-9-14)12-6-4-11(5-7-12)13-10-17/h4-7H,1-3,8-9H2
InChIKey
PMPSZAXEUCIVDC-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCCC1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8988197
LogD (pH = 7.4)
2.8988202
Log P
2.8988202
Molar Refractivity
77.2142
Polarizability
29.77553
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