Molecule

ID:123027

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClFNO₂
Molecular Mass
253.6567632
Exact Mass
253.03058443
Charge
0
InChI
InChI=1S/C12H9ClFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3
InChIKey
PPHSOQWURBALSQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1Cl)cc(cc2)F
Isomeric Smiles
c1(c(c2c(nc1)ccc(c2)F)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.237914
LogD (pH = 7.4)
3.2379317
Log P
3.237932
Molar Refractivity
61.7744
Polarizability
24.790915
Polar Surface Area
39.19
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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