Molecule

ID:125269

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FN
Molecular Mass
153.1966832
Exact Mass
153.09537761
Charge
0
InChI
InChI=1S/C9H12FN/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5,7H,6,11H2,1H3
InChIKey
GDSXNLDTQFFIEU-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccc1F)N
Isomeric Smiles
CC(Cc1ccccc1F)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0672097
LogD (pH = 7.4)
-0.4298547
Log P
1.9469525
Molar Refractivity
43.9216
Polarizability
16.94954
Polar Surface Area
26.02
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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