Molecule

ID:35010

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₂O₄S
Molecular Mass
292.39496
Exact Mass
292.14567826
Charge
0
InChI
InChI=1S/C12H24N2O4S/c1-3-5-8-13(4-2)19(17,18)14-9-6-11(7-10-14)12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChIKey
YONWZKYBISAJPK-UHFFFAOYSA-N
Canonic Smiles
CCCCN(S(=O)(=O)N1CCC(CC1)C(=O)O)CC
Isomeric Smiles
S(=O)(=O)(N1CCC(C(=O)O)CC1)N(CC)CCCC
Calculated Properties
JChem
Acid pKa
4.037509
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.8163344
LogD (pH = 7.4)
-2.4799724
Log P
0.657218
Molar Refractivity
73.4325
Polarizability
29.52635
Polar Surface Area
77.92
Rotatable Bonds
5
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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