Molecule

ID:18104

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
InChIKey
HWKUZTFIZATJPM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)F)C#N
Isomeric Smiles
C(#N)c1c(cc(cc1)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8143727
LogD (pH = 7.4)
1.8143727
Log P
1.8143727
Molar Refractivity
38.4592
Polarizability
14.373223
Polar Surface Area
33.02
Rotatable Bonds
1
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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