Molecule

ID:76466

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O
Molecular Mass
194.2286
Exact Mass
194.07316494
Charge
0
InChI
InChI=1S/C14H10O/c1-9(15)10-6-7-13-11-4-2-3-5-12(11)14(13)8-10/h2-8H,1H3
InChIKey
MBOITOZRTPXJIS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc2c(c1)c1c2cccc1
Isomeric Smiles
O=C(c1cc2c(cc1)c1ccccc21)C
Calculated Properties
JChem
Acid pKa
16.02625
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8520982
LogD (pH = 7.4)
2.8520982
Log P
2.8520982
Molar Refractivity
60.6752
Polarizability
25.870754
Polar Surface Area
17.07
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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