Molecule

ID:76992

General Information
Structure
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c1-15(13,14)12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6,11H2,1H3
InChIKey
PFOAYEHFQTZFDV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CCCN2S(=O)(=O)C
Isomeric Smiles
N1(c2ccc(cc2CCC1)N)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.20378552
LogD (pH = 7.4)
0.22531076
Log P
0.22559229
Molar Refractivity
60.2489
Polarizability
23.421637
Polar Surface Area
63.4
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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