Molecule

ID:62325

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(8-2-4-15-5-3-8)6-10(17-7)11(12,13)14;/h6,8,15H,2-5H2,1H3;1H
InChIKey
LGTFHKZWYJYWCN-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cc(n1)C(F)(F)F)C1CCNCC1.Cl
Isomeric Smiles
C(c1nc(nc(c1)C1CCNCC1)C)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2962515
LogD (pH = 7.4)
-0.44028306
Log P
2.037117
Molar Refractivity
57.9715
Polarizability
21.384325
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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