Molecule

ID:45978

General Information
Structure
Molecular Formula
C₁₀H₁₂FNO
Molecular Mass
181.2067832
Exact Mass
181.09029223
Charge
0
InChI
InChI=1S/C10H12FNO/c11-10-4-2-1-3-8(10)7-13-9-5-12-6-9/h1-4,9,12H,5-7H2
InChIKey
UCIKVUFCBYNXKW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1COC1CNC1
Isomeric Smiles
N1CC(OCc2c(F)cccc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4390738
LogD (pH = 7.4)
0.1339016
Log P
1.5155632
Molar Refractivity
48.2671
Polarizability
18.838821
Polar Surface Area
21.26
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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