Molecule

ID:95301

General Information
Structure
MolImage
Molecular Formula
C₁₃H₅Cl₂FN₂O₂
Molecular Mass
311.0954032
Exact Mass
309.97121099
Charge
0
InChI
InChI=1S/C13H5Cl2FN2O2/c14-9-4-6(5-10(15)18-9)12-17-8-3-1-2-7(16)11(8)13(19)20-12/h1-5H
InChIKey
XPMCSVXMHPHIOW-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)cc(c1)c1nc2cccc(c2c(=O)o1)F
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)oc(=O)c2c1cccc2F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9302487
LogD (pH = 7.4)
3.9302487
Log P
3.9302487
Molar Refractivity
75.9023
Polarizability
27.1341
Polar Surface Area
51.55
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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