Molecule

ID:8977

General Information
Structure
MolImage
Molecular Formula
C₈H₂Cl₂F₃N
Molecular Mass
240.0093896
Exact Mass
238.95163909
Charge
0
InChI
InChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
InChIKey
NCXSSFQXQAOREM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)cc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(cc(cc(c1C#N)Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9152799
LogD (pH = 7.4)
3.9152799
Log P
3.9152799
Molar Refractivity
47.3629
Polarizability
17.397274
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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