Molecule

ID:46043

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO
Molecular Mass
167.1802032
Exact Mass
167.07464217
Charge
0
InChI
InChI=1S/C9H10FNO/c10-7-1-3-8(4-2-7)12-9-5-11-6-9/h1-4,9,11H,5-6H2
InChIKey
ZDIPYYPSOHMOMO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OC1CNC1
Isomeric Smiles
N1CC(Oc2ccc(F)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3721083
LogD (pH = 7.4)
0.2758849
Log P
1.4821151
Molar Refractivity
43.1632
Polarizability
16.993801
Polar Surface Area
21.26
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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