Molecule

ID:94490

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO
Molecular Mass
191.1504296
Exact Mass
191.05579854
Charge
0
InChI
InChI=1S/C8H8F3NO/c1-13-7-3-5(8(9,10)11)2-6(12)4-7/h2-4H,12H2,1H3
InChIKey
VTFGJEYZCUWSAM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)cc(c1)C(F)(F)F
Isomeric Smiles
Nc1cc(cc(c1)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.863534
LogD (pH = 7.4)
1.8644849
Log P
1.8644971
Molar Refractivity
43.1953
Polarizability
15.224157
Polar Surface Area
35.25
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
References
Bioactivity
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