Molecule

ID:6459

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₂
Molecular Mass
204.1458896
Exact Mass
204.03981412
Charge
0
InChI
InChI=1S/C9H7F3O2/c1-14-8(13)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3
InChIKey
QQHNNQCWKYFNAC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
C(=O)(c1cccc(c1)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8545713
LogD (pH = 7.4)
2.8545713
Log P
2.8545713
Molar Refractivity
44.057
Polarizability
16.026371
Polar Surface Area
26.3
Rotatable Bonds
3
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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