Molecule

ID:94990

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₃N
Molecular Mass
205.5643296
Exact Mass
204.99061144
Charge
0
InChI
InChI=1S/C8H3ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
InChIKey
GRNQHTXPUDZMGB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1C(F)(F)F)Cl
Isomeric Smiles
FC(c1c(ccc(c1)Cl)C#N)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3112352
LogD (pH = 7.4)
3.3112352
Log P
3.3112352
Molar Refractivity
42.5581
Polarizability
15.355656
Polar Surface Area
23.79
Rotatable Bonds
1
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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