Molecule

ID:48389

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClF₃N₂
Molecular Mass
300.7066896
Exact Mass
300.06411073
Charge
0
InChI
InChI=1S/C14H12ClF3N2/c1-20(9-10-5-3-2-4-6-10)13-12(15)7-11(8-19-13)14(16,17)18/h2-8H,9H2,1H3
InChIKey
YFZCQVQVIOVPFM-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncc(cc1Cl)C(F)(F)F)Cc1ccccc1
Isomeric Smiles
c1(ncc(C(F)(F)F)cc1Cl)N(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6599407
LogD (pH = 7.4)
4.664384
Log P
4.664441
Molar Refractivity
74.0343
Polarizability
26.824762
Polar Surface Area
16.13
Rotatable Bonds
4
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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