Molecule

ID:30348

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-12-6-8-17(9-7-12)10-14(18)11-21-15-4-2-13(3-5-15)16(19)20/h2-5,12,14,18H,6-11H2,1H3,(H,19,20)
InChIKey
GKZJOLCUGLMVGN-UHFFFAOYSA-N
Canonic Smiles
OC(CN1CCC(CC1)C)COc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(c1ccc(OCC(CN2CCC(CC2)C)O)cc1)O
Calculated Properties
JChem
Acid pKa
4.27955
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.74770343
LogD (pH = 7.4)
-0.7361487
Log P
-0.7309862
Molar Refractivity
80.4496
Polarizability
31.330166
Polar Surface Area
70.0
Rotatable Bonds
6
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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