Molecule

ID:90571

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c13-15(14,10-5-4-6-11-9-10)12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2
InChIKey
YVNUZIJEPPTRCL-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1cccnc1)N1CCCCC1
Isomeric Smiles
S(=O)(=O)(c1cccnc1)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6593075
LogD (pH = 7.4)
0.65932226
Log P
0.65932244
Molar Refractivity
57.9944
Polarizability
23.206116
Polar Surface Area
50.27
Rotatable Bonds
1
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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