Molecule

ID:97286

General Information
Structure
Molecular Formula
C₈H₃ClFNO
Molecular Mass
183.5669232
Exact Mass
182.98871962
Charge
0
InChI
InChI=1S/C8H3ClFNO/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3H
InChIKey
BGSVXOFUWAZGGW-UHFFFAOYSA-N
Canonic Smiles
N#CC(=O)c1ccc(c(c1)Cl)F
Isomeric Smiles
Clc1cc(ccc1F)C(=O)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4618497
LogD (pH = 7.4)
2.4618497
Log P
2.4618497
Molar Refractivity
42.2562
Polarizability
15.605432
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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