Molecule

ID:59915

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₅
Molecular Mass
286.27936
Exact Mass
286.08412355
Charge
0
InChI
InChI=1S/C16H14O5/c1-8-7-20-13-6-14-12(5-11(8)13)9(2)10(16(19)21-14)3-4-15(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKey
GPVASUMRUOWISE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
Isomeric Smiles
c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.2624116
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4599388
LogD (pH = 7.4)
-0.27029124
Log P
2.7197452
Molar Refractivity
74.9374
Polarizability
29.723341
Polar Surface Area
76.74
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
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Molecule Details
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References
Bioactivity
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