Molecule

ID:96862

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FN
Molecular Mass
153.1966832
Exact Mass
153.09537761
Charge
0
InChI
InChI=1S/C9H12FN/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9H,2,11H2,1H3
InChIKey
LJVGBCCRQCRIJS-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cccc(c1)F)N
Isomeric Smiles
Fc1cc(ccc1)C(N)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8170903
LogD (pH = 7.4)
0.032372177
Log P
2.1808136
Molar Refractivity
43.6906
Polarizability
17.022009
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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