Molecule

ID:59339

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂O₃
Molecular Mass
276.28608
Exact Mass
276.07864424
Charge
0
InChI
InChI=1S/C18H12O3/c19-17(15-9-3-4-10-16(15)18(20)21)14-11-5-7-12-6-1-2-8-13(12)14/h1-11H,(H,20,21)
InChIKey
OXCYAVHGYGKEJY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1C(=O)c1cccc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(ccc2)C(=O)c1c(cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.436627
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.027149
LogD (pH = 7.4)
0.68629616
Log P
4.0796585
Molar Refractivity
80.3399
Polarizability
31.838032
Polar Surface Area
54.37
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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