Molecule

ID:68422

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₄
Molecular Mass
278.30372
Exact Mass
278.12665707
Charge
0
InChI
InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKey
FYKXWBBQYZXPFB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(NCC1)C(=O)OC)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0472633
LogD (pH = 7.4)
1.0605612
Log P
1.0607333
Molar Refractivity
71.8499
Polarizability
28.55303
Polar Surface Area
67.87
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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