Molecule

ID:123811

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClF₃N₂
Molecular Mass
240.6531896
Exact Mass
240.06411073
Charge
0
InChI
InChI=1S/C9H11F3N2.ClH/c1-14(2)8-4-3-6(13)5-7(8)9(10,11)12;/h3-5H,13H2,1-2H3;1H
InChIKey
TXEUEHVGWHPYCM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)N(C)C.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0359414
LogD (pH = 7.4)
2.128887
Log P
2.1302123
Molar Refractivity
51.1607
Polarizability
17.426489
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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