Molecule

ID:96863

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁F₂N
Molecular Mass
171.1871464
Exact Mass
171.0859558
Charge
0
InChI
InChI=1S/C9H11F2N/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5,9H,2,12H2,1H3
InChIKey
PFFDHDIEJYLKMD-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(F)cc(c1)F)N
Isomeric Smiles
Fc1cc(cc(c1)C(N)CC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6595332
LogD (pH = 7.4)
0.31655577
Log P
2.3235157
Molar Refractivity
43.907
Polarizability
16.720642
Polar Surface Area
26.02
Rotatable Bonds
2
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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