Molecule

ID:98161

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃O
Molecular Mass
200.1571896
Exact Mass
200.0448995
Charge
0
InChI
InChI=1S/C10H7F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3H,4-5H2
InChIKey
LJVBFMQEZSEGRL-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c1cccc2C(F)(F)F
Isomeric Smiles
O=C1c2c(c(ccc2)C(F)(F)F)CC1
Calculated Properties
JChem
Acid pKa
15.650916
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
16.35168
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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