Molecule

ID:100616

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₃O
Molecular Mass
176.1357896
Exact Mass
176.0448995
Charge
0
InChI
InChI=1S/C8H7F3O/c1-6-4-2-3-5-7(6)12-8(9,10)11/h2-5H,1H3
InChIKey
YFKPBFKOUVIQTN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OC(F)(F)F
Isomeric Smiles
O(c1c(cccc1)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9177787
LogD (pH = 7.4)
3.9177787
Log P
3.9177787
Molar Refractivity
34.1695
Polarizability
13.995399
Polar Surface Area
9.23
Rotatable Bonds
2
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
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References
Bioactivity
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