Molecule

ID:42946

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClFNO₃
Molecular Mass
219.5974832
Exact Mass
219.00984899
Charge
0
InChI
InChI=1S/C8H7ClFNO3/c1-13-7-5(10)3-4(6(9)11-7)8(12)14-2/h3H,1-2H3
InChIKey
KGWMUWXJNVKKCF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(F)c(nc1Cl)OC
Isomeric Smiles
c1(c(nc(c(c1)F)OC)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1627605
LogD (pH = 7.4)
2.1627605
Log P
2.1627605
Molar Refractivity
48.7856
Polarizability
18.25957
Polar Surface Area
48.42
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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