Molecule

ID:59672

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₅
Molecular Mass
262.25796
Exact Mass
262.08412355
Charge
0
InChI
InChI=1S/C14H14O5/c1-3-9-6-13(17)19-14-8(2)11(5-4-10(9)14)18-7-12(15)16/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKey
HZQDNFUBIZJIMB-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(=O)oc2c1ccc(c2C)OCC(=O)O
Isomeric Smiles
c12c(c(cc(=O)o1)CC)ccc(c2C)OCC(=O)O
Calculated Properties
JChem
Acid pKa
3.2681072
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.14797905
LogD (pH = 7.4)
-1.0716064
Log P
2.3610563
Molar Refractivity
68.0206
Polarizability
26.068008
Polar Surface Area
72.83
Rotatable Bonds
4
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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