Molecule

ID:110359

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₂S
Molecular Mass
246.32476
Exact Mass
246.07145069
Charge
0
InChI
InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
WEAYCYAIVOIUMG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
Cc1ccc(cc1)S(=O)(=O)c1ccc(C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9549232
LogD (pH = 7.4)
3.9549232
Log P
3.9549232
Molar Refractivity
69.6726
Polarizability
27.921238
Polar Surface Area
34.14
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
References
Bioactivity
Navigation