Molecule

ID:95064

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₂NO
Molecular Mass
169.1282064
Exact Mass
169.03392023
Charge
0
InChI
InChI=1S/C8H5F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H
InChIKey
PLTPHQGNJHSBBR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1OC(F)F
Isomeric Smiles
N#Cc1c(cccc1)OC(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.598429
LogD (pH = 7.4)
2.598429
Log P
2.598429
Molar Refractivity
38.2517
Polarizability
14.237811
Polar Surface Area
33.02
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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