Molecule

ID:39261

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11-7-4-10(5-8-11)6-9-12(16)17/h4-5,7-8H,6,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
ZENOSLRCCHSZKU-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)CCC(=O)O)OC(C)(C)C
Isomeric Smiles
c1c(ccc(c1)CCC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9779663
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4358767
LogD (pH = 7.4)
-0.20504844
Log P
2.966524
Molar Refractivity
72.2588
Polarizability
27.48372
Polar Surface Area
75.63
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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