Molecule

ID:12285

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂S
Molecular Mass
240.32194
Exact Mass
240.09324876
Charge
0
InChI
InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
KNQFDOLIXOOIGX-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)c1ccc(cc1)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)c1ccc(cc1)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
19.757711
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.495861
LogD (pH = 7.4)
-0.8646931
Log P
0.38566986
Molar Refractivity
65.2456
Polarizability
25.611988
Polar Surface Area
49.41
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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