Molecule

ID:93747

General Information
Structure
MolImage
Molecular Formula
C₉H₆FN
Molecular Mass
147.1490432
Exact Mass
147.04842742
Charge
0
InChI
InChI=1S/C9H6FN/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6H
InChIKey
WVWTVBZOOBKCKI-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C/c1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)/C=C/C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5034037
LogD (pH = 7.4)
2.5034037
Log P
2.5034037
Molar Refractivity
42.2556
Polarizability
15.175289
Polar Surface Area
23.79
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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