Molecule

ID:100303

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-6-2-1-3-7(9)5(6)4-10-11/h1-4,11H
InChIKey
OBJHLLOVMKKXDI-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1c(F)cccc1Cl
Isomeric Smiles
Fc1cccc(c1/C=N/O)Cl
Calculated Properties
JChem
Acid pKa
7.172575
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4328785
LogD (pH = 7.4)
2.015583
Log P
2.4419746
Molar Refractivity
41.4849
Polarizability
15.231994
Polar Surface Area
32.59
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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