Molecule

ID:67271

General Information
Structure
Molecular Formula
C₈H₄FNO
Molecular Mass
149.1218632
Exact Mass
149.02769197
Charge
0
InChI
InChI=1S/C8H4FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,5H
InChIKey
QXHUSGWCFSXQMF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)F)C=O
Isomeric Smiles
C(=O)c1c(cc(cc1)C#N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6845462
LogD (pH = 7.4)
1.6845462
Log P
1.6845462
Molar Refractivity
38.58
Polarizability
13.764337
Polar Surface Area
40.86
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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