Molecule

ID:47406

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClF₃N₂O
Molecular Mass
282.6898696
Exact Mass
282.07467542
Charge
0
InChI
InChI=1S/C11H13F3N2O.ClH/c12-11(13,14)8-3-4-10(16-6-8)17-9-2-1-5-15-7-9;/h3-4,6,9,15H,1-2,5,7H2;1H
InChIKey
DNDRPQMPTOJQJB-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(nc1)OC1CCCNC1)(F)F.Cl
Isomeric Smiles
C(c1cnc(OC2CNCCC2)cc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9811002
LogD (pH = 7.4)
0.20821743
Log P
2.1713693
Molar Refractivity
56.5871
Polarizability
21.277582
Polar Surface Area
34.15
Rotatable Bonds
3
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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