Molecule

ID:90160

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₃S
Molecular Mass
291.36538
Exact Mass
291.09291441
Charge
0
InChI
InChI=1S/C15H17NO3S/c1-16(12-13-8-10-14(19-2)11-9-13)20(17,18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey
MCUOPOJSLPOGIE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CN(S(=O)(=O)c1ccccc1)C
Isomeric Smiles
O=S(=O)(c1ccccc1)N(C)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5934305
LogD (pH = 7.4)
2.5934305
Log P
2.5934305
Molar Refractivity
79.0851
Polarizability
31.3895
Polar Surface Area
46.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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