Molecule

ID:65944

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-11-7-8-13(14(17)18)9-16(11)15(19)20-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,17,18)
InChIKey
WHBWAWHXIPKUMC-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(CN1C(=O)OCc1ccccc1)C(=O)O
Isomeric Smiles
C1(CN(C(CC1)C)C(=O)OCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2120976
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0991783
LogD (pH = 7.4)
-0.61876744
Log P
2.4064212
Molar Refractivity
73.1422
Polarizability
28.611038
Polar Surface Area
66.84
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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