Molecule

ID:94580

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₂O
Molecular Mass
232.2254064
Exact Mass
232.06997138
Charge
0
InChI
InChI=1S/C14H10F2O/c1-9-5-7-10(8-6-9)14(17)13-11(15)3-2-4-12(13)16/h2-8H,1H3
InChIKey
POCROCNITUXEAY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(F)cccc1F)c1ccc(cc1)C
Isomeric Smiles
O=C(c1c(cccc1F)F)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2314243
LogD (pH = 7.4)
4.2314243
Log P
4.2314243
Molar Refractivity
62.1075
Polarizability
23.069733
Polar Surface Area
17.07
Rotatable Bonds
2
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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