Molecule

ID:114687

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₄
Molecular Mass
254.2375
Exact Mass
254.0579088
Charge
0
InChI
InChI=1S/C15H10O4/c16-10-6-7-11-12(8-10)19-15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,16-17H
InChIKey
APFWLFUGBMRXCS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c(c2O)c1ccccc1
Isomeric Smiles
c1(c(c2c(oc1=O)cc(cc2)O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.7326517
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3696253
LogD (pH = 7.4)
1.5751319
Log P
2.3943353
Molar Refractivity
69.8739
Polarizability
26.571226
Polar Surface Area
66.76
Rotatable Bonds
1
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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