Molecule

ID:10221

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c1-12(2)15(13,14)9-3-4-10-8(7-9)5-6-11-10/h3-4,7,11H,5-6H2,1-2H3
InChIKey
RTBHIQIVIFMZDZ-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1ccc2c(c1)CCN2)C
Isomeric Smiles
c1(ccc2c(c1)CCN2)S(=O)(=O)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5383974
LogD (pH = 7.4)
0.53928405
Log P
0.5392954
Molar Refractivity
61.5127
Polarizability
23.316648
Polar Surface Area
49.41
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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