Molecule

ID:48394

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClF₃N₂
Molecular Mass
312.7173896
Exact Mass
312.06411073
Charge
0
InChI
InChI=1S/C15H12ClF3N2/c16-12-8-11(15(17,18)19)9-20-14(12)21-7-3-5-10-4-1-2-6-13(10)21/h1-2,4,6,8-9H,3,5,7H2
InChIKey
XXGLCZBJGPOCCI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCCc2c1cccc2)C(F)(F)F
Isomeric Smiles
N1(c2ncc(C(F)(F)F)cc2Cl)c2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9796968
LogD (pH = 7.4)
4.9799795
Log P
4.979983
Molar Refractivity
76.2866
Polarizability
27.868738
Polar Surface Area
16.13
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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