Molecule
ID:83536
General Information
Molecular Formula
C₁₃H₁₉NO₂S
Molecular Mass
253.36046
Exact Mass
253.11364985
Charge
0
InChI
InChI=1S/C13H19NO2S/c1-4-6-11-14(5-2)17(15,16)13-9-7-12(3)8-10-13/h4,7-10H,1,5-6,11H2,2-3H3
InChIKey
BRKISIWPCZOBOX-UHFFFAOYSA-N
Canonic Smiles
C=CCCN(S(=O)(=O)c1ccc(cc1)C)CC
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)N(CCC=C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.916769
LogD (pH = 7.4)
2.916769
Log P
2.916769
Molar Refractivity
71.7168
Polarizability
28.168531
Polar Surface Area
37.38
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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