Molecule

ID:26773

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂S
Molecular Mass
268.3751
Exact Mass
268.12454889
Charge
0
InChI
InChI=1S/C13H20N2O2S/c1-11(2)12-3-5-13(6-4-12)18(16,17)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKey
UIJPDEFOQMIKFK-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)S(=O)(=O)N1CCNCC1)C
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.07406482
LogD (pH = 7.4)
1.5371188
Log P
1.7357095
Molar Refractivity
72.9555
Polarizability
29.209173
Polar Surface Area
49.41
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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