Molecule

ID:77266

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂S
Molecular Mass
288.36474
Exact Mass
288.09324876
Charge
0
InChI
InChI=1S/C15H16N2O2S/c1-19-13-6-4-12(5-7-13)17-15(18)10-20-14-8-2-11(16)3-9-14/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
WVIWBKXEBGLNAS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)CSc1ccc(cc1)N
Isomeric Smiles
N(c1ccc(cc1)OC)C(=O)CSc1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
14.100144
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1914675
LogD (pH = 7.4)
2.2155018
Log P
2.215817
Molar Refractivity
84.49
Polarizability
31.49978
Polar Surface Area
64.35
Rotatable Bonds
5
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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