Molecule

ID:8838

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃N₂O
Molecular Mass
246.2289296
Exact Mass
246.09799771
Charge
0
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2
InChIKey
CNVOJNRNRNAOOP-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCOCC1)C(F)(F)F
Isomeric Smiles
C1OCCN(C1)c1ccc(cc1N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9104669
LogD (pH = 7.4)
1.9116961
Log P
1.9117117
Molar Refractivity
60.2352
Polarizability
21.117966
Polar Surface Area
38.49
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
No Data Available
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Molecule Details
References
Bioactivity
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