Molecule

ID:80511

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃S
Molecular Mass
285.31774
Exact Mass
285.04596422
Charge
0
InChI
InChI=1S/C15H11NO3S/c17-11-12-10-16(15-9-5-4-8-14(12)15)20(18,19)13-6-2-1-3-7-13/h1-11H
InChIKey
ZLARITBCJILRBL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(n1cc(c2c1cccc2)C=O)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
31.150162
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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