Molecule

ID:48372

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClF₃N₂
Molecular Mass
252.6638896
Exact Mass
252.06411073
Charge
0
InChI
InChI=1S/C10H12ClF3N2/c1-3-16(4-2)9-8(11)5-7(6-15-9)10(12,13)14/h5-6H,3-4H2,1-2H3
InChIKey
GWDIOLFKLMFJFP-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncc(cc1Cl)C(F)(F)F)CC
Isomeric Smiles
C(c1cc(c(nc1)N(CC)CC)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.648892
LogD (pH = 7.4)
3.6535244
Log P
3.6535838
Molar Refractivity
58.9189
Polarizability
21.05555
Polar Surface Area
16.13
Rotatable Bonds
4
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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