Molecule

ID:26793

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂S
Molecular Mass
268.3751
Exact Mass
268.12454889
Charge
0
InChI
InChI=1S/C13H20N2O2S/c1-2-12-5-3-4-10-15(12)18(16,17)13-8-6-11(14)7-9-13/h6-9,12H,2-5,10,14H2,1H3
InChIKey
OBMKBCJDJKVFFC-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1S(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(N1C(CC)CCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9867975
LogD (pH = 7.4)
1.9871616
Log P
1.9871663
Molar Refractivity
73.7945
Polarizability
28.904581
Polar Surface Area
63.4
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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