Molecule

ID:26229

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂S
Molecular Mass
226.29536
Exact Mass
226.0775987
Charge
0
InChI
InChI=1S/C10H14N2O2S/c13-15(14,10-4-2-1-3-5-10)12-8-6-11-7-9-12/h1-5,11H,6-9H2
InChIKey
NANQJUFFKXWVJR-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1709443
LogD (pH = 7.4)
0.29210958
Log P
0.49070036
Molar Refractivity
58.7647
Polarizability
23.771204
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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