Molecule

ID:89874

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂S
Molecular Mass
268.3751
Exact Mass
268.12454889
Charge
0
InChI
InChI=1S/C13H20N2O2S/c1-15(11-7-3-2-4-8-11)18(16,17)13-10-6-5-9-12(13)14/h5-6,9-11H,2-4,7-8,14H2,1H3
InChIKey
IPEHSCPRVOWQFQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1S(=O)(=O)N(C1CCCCC1)C
Isomeric Smiles
S(=O)(=O)(c1ccccc1N)N(C1CCCCC1)C
Calculated Properties
JChem
Acid pKa
17.660292
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9969274
LogD (pH = 7.4)
1.9969727
Log P
1.9969733
Molar Refractivity
73.7239
Polarizability
28.907125
Polar Surface Area
63.4
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
No Data Available
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Molecule Details
References
Bioactivity
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