Molecule

ID:35012

General Information
Structure
Molecular Formula
C₁₀H₁₈N₂O₄S
Molecular Mass
262.32592
Exact Mass
262.09872807
Charge
0
InChI
InChI=1S/C10H18N2O4S/c13-10(14)9-4-3-7-12(8-9)17(15,16)11-5-1-2-6-11/h9H,1-8H2,(H,13,14)
InChIKey
LWOASKLVDJFMEW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)S(=O)(=O)N1CCCC1
Isomeric Smiles
S(=O)(=O)(N1CC(C(=O)O)CCC1)N1CCCC1
Calculated Properties
JChem
Acid pKa
4.0025153
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9689034
LogD (pH = 7.4)
-3.6194398
Log P
-0.4617841
Molar Refractivity
62.1973
Polarizability
25.166945
Polar Surface Area
77.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
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