Molecule
ID:119699
General Information
Molecular Formula
C₂₀H₁₄O₅
Molecular Mass
334.32216
Exact Mass
334.08412355
Charge
0
InChI
InChI=1S/C20H14O5/c1-11-13-7-15-16(12-5-3-2-4-6-12)10-24-17(15)9-18(13)25-20(23)14(11)8-19(21)22/h2-7,9-10H,8H2,1H3,(H,21,22)
InChIKey
IQWQGQREZKOSCN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
Isomeric Smiles
c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.4202347
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.296037
LogD (pH = 7.4)
0.5366589
Log P
3.4089804
Molar Refractivity
90.4314
Polarizability
37.063133
Polar Surface Area
76.74
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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