Molecule

ID:80508

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₃S
Molecular Mass
287.33362
Exact Mass
287.06161428
Charge
0
InChI
InChI=1S/C15H13NO3S/c17-11-12-6-7-15-13(10-12)8-9-16(15)20(18,19)14-4-2-1-3-5-14/h1-10,17H,11H2
InChIKey
GGRJZYLQIVBRJI-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(c1)ccn2S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(n1c2ccc(cc2cc1)CO)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.915517
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2340322
LogD (pH = 7.4)
2.2340322
Log P
2.2340322
Molar Refractivity
76.9807
Polarizability
31.704195
Polar Surface Area
59.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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