Molecule

ID:62891

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂O₂S
Molecular Mass
280.3858
Exact Mass
280.12454889
Charge
0
InChI
InChI=1S/C14H20N2O2S/c15-14-8-6-10-5-7-12(9-13(10)14)19(17,18)16-11-3-1-2-4-11/h5,7,9,11,14,16H,1-4,6,8,15H2
InChIKey
ZPIPJWXLRUZXSO-UHFFFAOYSA-N
Canonic Smiles
NC1CCc2c1cc(cc2)S(=O)(=O)NC1CCCC1
Isomeric Smiles
S(=O)(=O)(c1cc2c(cc1)CCC2N)NC1CCCC1
Calculated Properties
JChem
Acid pKa
10.346892
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1086576
LogD (pH = 7.4)
0.10545086
Log P
1.6244283
Molar Refractivity
75.58
Polarizability
30.319138
Polar Surface Area
72.19
Rotatable Bonds
2
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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