Molecule

ID:42009

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChIKey
ODBGONFPCSVCCM-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1ccc(cc1)F
Isomeric Smiles
c1c(ccc(c1)OCC#N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4942087
LogD (pH = 7.4)
1.4942087
Log P
1.4942087
Molar Refractivity
37.8015
Polarizability
14.234118
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
Molecule Details
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References
Bioactivity
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