Molecule

ID:98291

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO
Molecular Mass
191.1504296
Exact Mass
191.05579854
Charge
0
InChI
InChI=1S/C8H8F3NO/c1-13-7-5(8(9,10)11)3-2-4-6(7)12/h2-4H,12H2,1H3
InChIKey
QOMZMKOUJOLVKC-UHFFFAOYSA-N
Canonic Smiles
COc1c(N)cccc1C(F)(F)F
Isomeric Smiles
Nc1cccc(c1OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8615979
LogD (pH = 7.4)
1.8644605
Log P
1.8644971
Molar Refractivity
43.1953
Polarizability
15.225646
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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