Molecule

ID:98596

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FN
Molecular Mass
153.1966832
Exact Mass
153.09537761
Charge
0
InChI
InChI=1S/C9H12FN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1
InChIKey
QEHQNPXQYYTODW-SSDOTTSWSA-N
Canonic Smiles
CN[C@@H](c1ccccc1F)C
Isomeric Smiles
Fc1c(cccc1)[C@H](NC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.94762623
LogD (pH = 7.4)
0.523185
Log P
2.0908716
Molar Refractivity
43.9412
Polarizability
17.021875
Polar Surface Area
12.03
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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