Molecule

ID:65372

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
225.24723484
Exact Mass
225.08708446
Charge
0
InChI
InChI=1S/C15H12O2/c1-15(14(16)17)12-8-4-2-6-10(12)11-7-3-5-9-13(11)15/h2-9H,1H3,(H,16,17)/i14+1
InChIKey
PUPWRKQSVGUBQS-UJKGMGNHSA-N
Canonic Smiles
O[13C](=O)C1(C)c2ccccc2c2c1cccc2
Isomeric Smiles
c12c(C(c3c1cccc3)(C)[13C](=O)O)cccc2
Calculated Properties
JChem
Acid pKa
4.471591
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4518516
LogD (pH = 7.4)
0.6859678
Log P
3.5177782
Molar Refractivity
65.4938
Polarizability
26.613285
Polar Surface Area
37.3
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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