Molecule

ID:13305

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)13(16)15-8-6-11(7-9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKey
ZMEVUKYYWCUUJF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)O
Isomeric Smiles
C(=O)(N1CCC(C(=O)O)CC1)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.9454627
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.37528643
LogD (pH = 7.4)
-2.002865
Log P
1.1866776
Molar Refractivity
69.7749
Polarizability
26.556173
Polar Surface Area
66.84
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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