Molecule

ID:30255

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-10(2)20-13-8-4-3-6-11(13)14(17)16-9-5-7-12(16)15(18)19/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H,18,19)
InChIKey
ASZHYBVNHOCPCG-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1C(=O)N1CCCC1C(=O)O)C
Isomeric Smiles
C(=O)(N1C(C(=O)O)CCC1)c1c(OC(C)C)cccc1
Calculated Properties
JChem
Acid pKa
3.657419
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.14273946
LogD (pH = 7.4)
-1.339447
Log P
1.982687
Molar Refractivity
73.9313
Polarizability
28.390118
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
No Data Available
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Molecule Details
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References
Bioactivity
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