Molecule

ID:87120

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-3-18-13(16)12(14(17)19-4-2)6-5-11-7-9-15-10-8-11/h7-10,12H,3-6H2,1-2H3
InChIKey
OCZLLKTXONXXKS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)CCc1ccncc1
Isomeric Smiles
O=C(C(C(=O)OCC)CCc1ccncc1)OCC
Calculated Properties
JChem
Acid pKa
8.1224575
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9048109
LogD (pH = 7.4)
1.9460392
Log P
2.022542
Molar Refractivity
69.7378
Polarizability
27.557547
Polar Surface Area
65.49
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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