Molecule

ID:13118

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₅
Molecular Mass
264.27384
Exact Mass
264.09977361
Charge
0
InChI
InChI=1S/C14H16O5/c1-19-12-6-2-10(3-7-12)13(16)8-4-11(15)5-9-14(17)18/h2-3,6-7H,4-5,8-9H2,1H3,(H,17,18)
InChIKey
URIXTVZXAZEZKR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)CCC(=O)CCC(=O)O
Isomeric Smiles
c1c(ccc(c1)C(=O)CCC(=O)CCC(=O)O)OC
Calculated Properties
JChem
Acid pKa
3.8425272
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.30856007
LogD (pH = 7.4)
-1.8897618
Log P
1.352573
Molar Refractivity
68.2617
Polarizability
26.425446
Polar Surface Area
80.67
Rotatable Bonds
8
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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