Molecule

ID:62326

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClF₃N₃
Molecular Mass
281.7051096
Exact Mass
281.09065984
Charge
0
InChI
InChI=1S/C11H14F3N3.ClH/c1-7-16-9(8-3-2-4-15-6-8)5-10(17-7)11(12,13)14;/h5,8,15H,2-4,6H2,1H3;1H
InChIKey
ROYILWZHVZENPT-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cc(n1)C(F)(F)F)C1CCCNC1.Cl
Isomeric Smiles
C(c1nc(nc(c1)C1CNCCC1)C)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1139064
LogD (pH = 7.4)
-0.0022712424
Log P
2.1830568
Molar Refractivity
57.8175
Polarizability
21.383986
Polar Surface Area
37.81
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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