Molecule

ID:115328

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃S
Molecular Mass
313.3709
Exact Mass
313.07726435
Charge
0
InChI
InChI=1S/C17H15NO3S/c1-12-7-9-14(10-8-12)22(20,21)18-11-16(13(2)19)15-5-3-4-6-17(15)18/h3-11H,1-2H3
InChIKey
DNDMNPLPNYMHGJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cccc2)C(=O)C
Isomeric Smiles
S(=O)(=O)(n1cc(c2c1cccc2)C(=O)C)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
15.545141
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0724506
LogD (pH = 7.4)
3.0724506
Log P
3.0724506
Molar Refractivity
85.6088
Polarizability
34.75882
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