Molecule

ID:381

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₂
Molecular Mass
222.2387
Exact Mass
222.06807956
Charge
0
InChI
InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKey
NFBAXHOPROOJAW-UHFFFAOYSA-N
Canonic Smiles
O=C1C(c2ccccc2)C(=O)c2c1cccc2
Isomeric Smiles
O=C1C(C(=O)c2c1cccc2)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
0.48
LogD (pH = 5.5)
2.20
Log P
2.88
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.92
Polar Surface Area
34.14
Polarizability
23.24
Molar Refractivity
65.23
LOG S
-3.91
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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