Molecule

ID:59114

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₃
Molecular Mass
228.2881
Exact Mass
228.14739251
Charge
0
InChI
InChI=1S/C11H20N2O3/c1-3-12(4-2)11(16)13-7-5-9(6-8-13)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKey
ZOAYBBWITZNRCB-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)N1CCC(CC1)C(=O)O)CC
Isomeric Smiles
C(=O)(N1CCC(C(=O)O)CC1)N(CC)CC
Calculated Properties
JChem
Acid pKa
4.644845
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5933888
LogD (pH = 7.4)
-2.3708246
Log P
0.31759694
Molar Refractivity
60.6085
Polarizability
23.17595
Polar Surface Area
60.85
Rotatable Bonds
3
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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