Molecule

ID:95348

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₂FN₂O₃
Molecular Mass
355.1479632
Exact Mass
353.99742574
Charge
0
InChI
InChI=1S/C15H9Cl2FN2O3/c16-12(14(17)15(21)22)8-19-10-3-6-13(20-7-10)23-11-4-1-9(18)2-5-11/h1-8H,(H,21,22)
InChIKey
MEGFHEOSAVXXKS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ccc(cn1)/N=C/C(=C(/C(=O)O)\Cl)/Cl
Isomeric Smiles
n1c(ccc(c1)/N=C/C(=C(/C(=O)O)\Cl)/Cl)Oc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
2.7526138
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0733593
LogD (pH = 7.4)
0.26193953
Log P
3.7599068
Molar Refractivity
86.6236
Polarizability
31.65063
Polar Surface Area
71.78
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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