Molecule

ID:52637

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₂N
Molecular Mass
183.1978464
Exact Mass
183.0859558
Charge
0
InChI
InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey
NCXSNNVYILYEBC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C1CCCN1)F
Isomeric Smiles
c1cc(cc(c1F)C1NCCC1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.90426624
LogD (pH = 7.4)
0.108691484
Log P
2.282563
Molar Refractivity
46.95
Polarizability
17.837162
Polar Surface Area
12.03
Rotatable Bonds
1
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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