Molecule

ID:98803

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClFNO
Molecular Mass
183.5669232
Exact Mass
182.98871962
Charge
0
InChI
InChI=1S/C8H3ClFNO/c9-8(12)5-1-2-7(10)6(3-5)4-11/h1-3H
InChIKey
AZBJLJVMWLMSAT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(ccc1F)C(=O)Cl
Isomeric Smiles
ClC(=O)c1cc(c(cc1)F)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1629565
LogD (pH = 7.4)
2.1629565
Log P
2.1629565
Molar Refractivity
43.1107
Polarizability
15.704585
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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