Molecule

ID:63171

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄N₂O₃S
Molecular Mass
362.40176
Exact Mass
362.07251332
Charge
0
InChI
InChI=1S/C20H14N2O3S/c23-19(15-8-3-1-4-9-15)18-14-16-10-7-13-21-20(16)22(18)26(24,25)17-11-5-2-6-12-17/h1-14H
InChIKey
FPIGQHZPFIZNSG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc2c(n1S(=O)(=O)c1ccccc1)nccc2)c1ccccc1
Isomeric Smiles
c1(C(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2c(cccn2)c1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.530521
LogD (pH = 7.4)
3.5305254
Log P
3.5305257
Molar Refractivity
98.4135
Polarizability
39.349
Polar Surface Area
69.03
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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