Molecule

ID:115056

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClF₃N₃
Molecular Mass
325.7161496
Exact Mass
325.05935971
Charge
0
InChI
InChI=1S/C15H11ClF3N3/c1-8-7-12(16)22-14(20-8)13(9(2)21-22)10-3-5-11(6-4-10)15(17,18)19/h3-7H,1-2H3
InChIKey
TYAHKIQUUJSJSU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)n2c(n1)c(c1ccc(cc1)C(F)(F)F)c(n2)C
Isomeric Smiles
n12c(c(c(n1)C)c1ccc(C(F)(F)F)cc1)nc(cc2Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.759735
LogD (pH = 7.4)
3.7598407
Log P
3.7598422
Molar Refractivity
88.8724
Polarizability
29.81123
Polar Surface Area
30.19
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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