Molecule
ID:119149
General Information
Molecular Formula
C₁₆H₁₀O₄
Molecular Mass
266.2482
Exact Mass
266.0579088
Charge
0
InChI
InChI=1S/C16H10O4/c17-15(18)13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)16(19)20-14/h1-9H,(H,17,18)/b14-13+
InChIKey
FYVAVBJZCHTYMI-BUHFOSPRSA-N
Canonic Smiles
OC(=O)/C(=C\1/OC(=O)c2c1cccc2)/c1ccccc1
Isomeric Smiles
C\1(=C(\C(=O)O)/c2ccccc2)/OC(=O)c2c1cccc2
Calculated Properties
JChem
Acid pKa
2.5766168
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.01458915
LogD (pH = 7.4)
-0.6655613
Log P
2.8423822
Molar Refractivity
73.1683
Polarizability
27.69285
Polar Surface Area
63.6
Rotatable Bonds
2
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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