Molecule

ID:97094

General Information
Structure
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Molecular Formula
C₁₅H₁₀F₂O
Molecular Mass
244.2361064
Exact Mass
244.06997138
Charge
0
InChI
InChI=1S/C15H10F2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H
InChIKey
AZBVDMNDUOURGI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.005527
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1757293
LogD (pH = 7.4)
4.1757293
Log P
4.1757293
Molar Refractivity
67.3098
Polarizability
24.644283
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
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
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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