Molecule

ID:113313

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₄
Molecular Mass
254.2375
Exact Mass
254.0579088
Charge
0
InChI
InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(15(17)18)14(19-12)9-4-2-1-3-5-9/h1-8,16H,(H,17,18)
InChIKey
CRRSIUBBUSEXIN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(C(=O)O)c(o2)c1ccccc1
Isomeric Smiles
c1(c(oc2c1cc(cc2)O)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2661443
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.7972687
LogD (pH = 7.4)
0.062291007
Log P
3.0536132
Molar Refractivity
69.1499
Polarizability
28.611315
Polar Surface Area
70.67
Rotatable Bonds
2
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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