Molecule

ID:67965

General Information
Structure
Molecular Formula
C₁₀H₇F₃O
Molecular Mass
200.1571896
Exact Mass
200.0448995
Charge
0
InChI
InChI=1S/C10H7F3O/c11-10(12,13)7-2-3-8-6(5-7)1-4-9(8)14/h2-3,5H,1,4H2
InChIKey
AHSXMYSALCGWSP-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c1ccc(c2)C(F)(F)F
Isomeric Smiles
C1(=O)CCc2cc(ccc12)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.04329
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7144046
LogD (pH = 7.4)
2.7144046
Log P
2.7144046
Molar Refractivity
45.6994
Polarizability
16.351536
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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