Molecule

ID:125378

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FN
Molecular Mass
153.1966832
Exact Mass
153.09537761
Charge
0
InChI
InChI=1S/C9H12FN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
InChIKey
PIOCLGPCMNPZFT-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1cccc(c1)F)N
Isomeric Smiles
Fc1cccc(c1)CC(C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0707059
LogD (pH = 7.4)
-0.4983655
Log P
1.9469525
Molar Refractivity
43.9216
Polarizability
16.948175
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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