Molecule

ID:61669

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO
Molecular Mass
191.1504296
Exact Mass
191.05579854
Charge
0
InChI
InChI=1S/C8H8F3NO/c1-13-5-2-3-7(12)6(4-5)8(9,10)11/h2-4H,12H2,1H3
InChIKey
BTRQZDUCUGJMPS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
C(c1c(ccc(c1)OC)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.86324
LogD (pH = 7.4)
1.8644812
Log P
1.8644971
Molar Refractivity
43.1953
Polarizability
15.223911
Polar Surface Area
35.25
Rotatable Bonds
2
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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