Molecule

ID:10926

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-10(2)20-12-7-5-11(6-8-12)14(17)16-9-3-4-13(16)15(18)19/h5-8,10,13H,3-4,9H2,1-2H3,(H,18,19)
InChIKey
SQPVACLHVRWFLM-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(=O)N1CCCC1C(=O)O)C
Isomeric Smiles
C1CC(N(C1)C(=O)c1ccc(cc1)OC(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2793913
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.21976677
LogD (pH = 7.4)
-1.4477103
Log P
1.982687
Molar Refractivity
73.9313
Polarizability
28.387497
Polar Surface Area
66.84
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
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References
Bioactivity
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