Molecule

ID:74589

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₃S
Molecular Mass
326.36966
Exact Mass
326.07251332
Charge
0
InChI
InChI=1S/C17H14N2O3S/c18-17(20)15-7-3-4-8-16(15)19-23(21,22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,19H,(H2,18,20)
InChIKey
BGVAHNPIMLUQAI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)cccc2
Isomeric Smiles
S(=O)(=O)(c1cc2ccccc2cc1)Nc1ccccc1C(=O)N
Calculated Properties
JChem
Acid pKa
7.109015
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2916894
LogD (pH = 7.4)
1.9179561
Log P
2.3010283
Molar Refractivity
88.4188
Polarizability
35.522198
Polar Surface Area
89.26
Rotatable Bonds
3
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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