Molecule

ID:39971

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClF₃N
Molecular Mass
209.5960896
Exact Mass
209.02191157
Charge
0
InChI
InChI=1S/C8H7ClF3N/c1-2-7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,2H2,1H3
InChIKey
GPPKRUINKZWCKQ-UHFFFAOYSA-N
Canonic Smiles
CCc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(cc(c(nc1)CC)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0682082
LogD (pH = 7.4)
3.0693579
Log P
3.0693727
Molar Refractivity
43.898
Polarizability
16.222279
Polar Surface Area
12.89
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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