Molecule

ID:77184

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h3-5,8H,1-2,6-7,11H2
InChIKey
PNMVTNBCFFLBNV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)S(=O)(=O)N1CCCC1
Isomeric Smiles
N1(CCCC1)S(=O)(=O)c1cccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6031788
LogD (pH = 7.4)
0.6034962
Log P
0.60350025
Molar Refractivity
60.2507
Polarizability
23.394674
Polar Surface Area
63.4
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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