Molecule

ID:23772

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO
Molecular Mass
159.5455232
Exact Mass
158.98871962
Charge
0
InChI
InChI=1S/C6H3ClFNO/c7-6-4(3-10)1-5(8)2-9-6/h1-3H
InChIKey
IMQFWCDQEAIYJV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cnc1Cl
Isomeric Smiles
c1(cnc(c(c1)C=O)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4349995
LogD (pH = 7.4)
1.4349995
Log P
1.4349995
Molar Refractivity
36.5676
Polarizability
13.110619
Polar Surface Area
29.96
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
References
Bioactivity
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