Molecule

ID:74670

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₃S
Molecular Mass
325.3816
Exact Mass
325.07726435
Charge
0
InChI
InChI=1S/C18H15NO3S/c1-14-7-9-17(10-8-14)23(21,22)19-12-11-16(13-19)18(20)15-5-3-2-4-6-15/h2-13H,1H3
InChIKey
WRDSTJINSJFSNC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)c1ccccc1
Isomeric Smiles
n1(ccc(c1)C(=O)c1ccccc1)S(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9552784
LogD (pH = 7.4)
3.9552784
Log P
3.9552784
Molar Refractivity
89.4538
Polarizability
35.165768
Polar Surface Area
56.14
Rotatable Bonds
3
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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