Molecule

ID:18464

General Information
Structure
MolImage
Molecular Formula
C₉H₈FNO
Molecular Mass
165.1643232
Exact Mass
165.0589921
Charge
0
InChI
InChI=1S/C9H8FNO/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5H,2H2,1H3
InChIKey
HVAKERNUWAPZOR-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1C#N)F
Isomeric Smiles
C(#N)c1c(cccc1F)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1711807
LogD (pH = 7.4)
2.1711807
Log P
2.1711807
Molar Refractivity
43.2078
Polarizability
16.20388
Polar Surface Area
33.02
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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