Molecule

ID:59514

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₃S
Molecular Mass
299.34432
Exact Mass
299.06161428
Charge
0
InChI
InChI=1S/C16H13NO3S/c1-12-6-8-15(9-7-12)21(19,20)17-14(11-18)10-13-4-2-3-5-16(13)17/h2-11H,1H3
InChIKey
HLEBZLRXCJWYNE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(n1S(=O)(=O)c1ccc(cc1)C)cccc2
Isomeric Smiles
S(=O)(=O)(n1c(cc2c1cccc2)C=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1473067
LogD (pH = 7.4)
3.1473067
Log P
3.1473067
Molar Refractivity
81.6675
Polarizability
32.916355
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