Molecule

ID:92566

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₂S
Molecular Mass
257.30764
Exact Mass
257.0510496
Charge
0
InChI
InChI=1S/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H
InChIKey
VDWLCYCWLIKWBV-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(n1ccc2c1cccc2)c1ccccc1
Isomeric Smiles
n1(c2c(cccc2)cc1)S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0013819
LogD (pH = 7.4)
3.0013819
Log P
3.0013819
Molar Refractivity
70.1648
Polarizability
29.266722
Polar Surface Area
39.07
Rotatable Bonds
1
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