Molecule

ID:117195

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-18-12-7-10-3-5-15(6-4-14(16)17)9-11(10)8-13(12)19-2/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChIKey
WBSFXIIDLAELJP-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CN(CCC(=O)O)CCc2cc1OC
Isomeric Smiles
c12c(cc(c(c1)OC)OC)CCN(C2)CCC(=O)O
Calculated Properties
JChem
Acid pKa
2.9445884
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.373068
LogD (pH = 7.4)
-1.4271027
Log P
-1.3740362
Molar Refractivity
71.6207
Polarizability
27.662342
Polar Surface Area
59.0
Rotatable Bonds
5
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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