Molecule

ID:101675

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₄NO
Molecular Mass
195.1143128
Exact Mass
195.03072667
Charge
0
InChI
InChI=1S/C7H5F4NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3
InChIKey
IHOIUDOVZDEYLS-UHFFFAOYSA-N
Canonic Smiles
COc1ncc(cc1F)C(F)(F)F
Isomeric Smiles
C(c1cc(c(nc1)OC)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2129097
LogD (pH = 7.4)
2.2129102
Log P
2.2129102
Molar Refractivity
36.8679
Polarizability
13.227234
Polar Surface Area
22.12
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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