Molecule

ID:41822

General Information
Structure
MolImage
Molecular Formula
C₆H₇F₃O₂
Molecular Mass
168.1137896
Exact Mass
168.03981412
Charge
0
InChI
InChI=1S/C6H7F3O2/c1-4(11-2)3-5(10)6(7,8)9/h3H,1-2H3/b4-3+
InChIKey
XJNIYNVIHHABIV-ONEGZZNKSA-N
Canonic Smiles
CO/C(=C/C(=O)C(F)(F)F)/C
Isomeric Smiles
C(=C(\OC)/C)/C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5896558
LogD (pH = 7.4)
1.5896558
Log P
1.5896558
Molar Refractivity
34.4007
Polarizability
11.940268
Polar Surface Area
26.3
Rotatable Bonds
3
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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