Molecule

ID:48381

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClF₃N₂
Molecular Mass
278.7011696
Exact Mass
278.0797608
Charge
0
InChI
InChI=1S/C12H14ClF3N2/c1-8-2-4-18(5-3-8)11-10(13)6-9(7-17-11)12(14,15)16/h6-8H,2-5H2,1H3
InChIKey
CYJGQWBPGSOJCG-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(ncc(C(F)(F)F)cc1Cl)N1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.07272
LogD (pH = 7.4)
4.0772943
Log P
4.077353
Molar Refractivity
66.1123
Polarizability
23.969557
Polar Surface Area
16.13
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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