Molecule

ID:31669

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FN
Molecular Mass
153.1966832
Exact Mass
153.09537761
Charge
0
InChI
InChI=1S/C9H12FN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey
DGXWNDGLEOIEGT-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)F)N
Isomeric Smiles
c1(F)ccc(CC(N)C)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0722251
LogD (pH = 7.4)
-0.5316988
Log P
1.9469525
Molar Refractivity
43.9216
Polarizability
16.947783
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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