Molecule

ID:46099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₂NO
Molecular Mass
199.1972464
Exact Mass
199.08087042
Charge
0
InChI
InChI=1S/C10H11F2NO/c11-8-1-7(2-9(12)3-8)6-14-10-4-13-5-10/h1-3,10,13H,4-6H2
InChIKey
QUVYSHPQIQXGDB-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(COC2CNC2)cc(c1)F
Isomeric Smiles
N1CC(OCc2cc(cc(c2)F)F)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2963727
LogD (pH = 7.4)
0.27660212
Log P
1.6582651
Molar Refractivity
48.4835
Polarizability
18.580706
Polar Surface Area
21.26
Rotatable Bonds
3
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
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References
Bioactivity
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