Molecule

ID:51796

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClF₃N₂O
Molecular Mass
280.6739896
Exact Mass
280.05902535
Charge
0
InChI
InChI=1S/C11H12ClF3N2O/c12-9-4-7(11(13,14)15)5-17-10(9)18-8-2-1-3-16-6-8/h4-5,8,16H,1-3,6H2
InChIKey
CLGJXWYFGCLJIF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1OC1CCCNC1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(nc1)OC1CNCCC1)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.36927363
LogD (pH = 7.4)
0.85004115
Log P
2.775414
Molar Refractivity
61.3919
Polarizability
23.294233
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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