Molecule

ID:14414

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₃
Molecular Mass
266.33608
Exact Mass
266.16304257
Charge
0
InChI
InChI=1S/C14H22N2O3/c1-12-6-15-8-13(2,11(12)19)9-16(7-12)14(15,3)5-4-10(17)18/h4-9H2,1-3H3,(H,17,18)
InChIKey
UJWFYGNCEKEHLS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1(C)N2CC3(CN1CC(C2)(C3=O)C)C
Isomeric Smiles
C1(N2CC3(CN1CC(C2)(C3=O)C)C)(CCC(=O)O)C
Calculated Properties
JChem
Acid pKa
2.6434326
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.2125193
LogD (pH = 7.4)
-1.7318896
Log P
-1.2378086
Molar Refractivity
71.0692
Polarizability
27.991154
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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