Molecule

ID:80761

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChIKey
XLWOOUZKMJBINO-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(C(=O)OCc2ccccc2)CC(CO)CCC1
Calculated Properties
JChem
Acid pKa
15.43051
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5810452
LogD (pH = 7.4)
1.5810452
Log P
1.5810452
Molar Refractivity
68.939
Polarizability
26.851816
Polar Surface Area
49.77
Rotatable Bonds
4
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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