Molecule

ID:71252

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃S
Molecular Mass
285.31774
Exact Mass
285.04596422
Charge
0
InChI
InChI=1S/C15H11NO3S/c17-11-12-6-7-15-13(10-12)8-9-16(15)20(18,19)14-4-2-1-3-5-14/h1-11H
InChIKey
LQORWTDKWNXPCY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)ccn2S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(n1c2c(cc1)cc(C=O)cc2)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.713884
LogD (pH = 7.4)
2.713884
Log P
2.713884
Molar Refractivity
76.7488
Polarizability
31.143978
Polar Surface Area
56.14
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
暂无数据
点击上传数据
References
Bioactivity
Navigation