Molecule

ID:18437

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)
InChIKey
JNPBKQOVSMBPGE-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)NC(=O)OCc1ccccc1
Isomeric Smiles
C1C(CCC(C1)NC(=O)OCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.84662
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.949704
LogD (pH = 7.4)
1.9497039
Log P
1.949704
Molar Refractivity
68.2825
Polarizability
26.851816
Polar Surface Area
58.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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