Molecule

ID:99418

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO
Molecular Mass
159.5455232
Exact Mass
158.98871962
Charge
0
InChI
InChI=1S/C6H3ClFNO/c7-6(10)4-1-2-5(8)9-3-4/h1-3H
InChIKey
IPOCOANFUVSCLZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cn1)C(=O)Cl
Isomeric Smiles
n1c(ccc(c1)C(=O)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4831185
LogD (pH = 7.4)
1.4831185
Log P
1.4831185
Molar Refractivity
36.2469
Polarizability
13.028383
Polar Surface Area
29.96
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
No Data Available
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Molecule Details
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References
Bioactivity
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