Molecule

ID:79126

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂Cl₂N₂O₄
Molecular Mass
367.18348
Exact Mass
366.01741223
Charge
0
InChI
InChI=1S/C16H12Cl2N2O4/c1-23-11-3-5-12(6-4-11)24-14-7-2-10(8-20-14)19-9-13(17)15(18)16(21)22/h2-9H,1H3,(H,21,22)
InChIKey
WXNQMVWOXVTWIR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(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)OC
Calculated Properties
JChem
Acid pKa
2.7526896
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.7730271
LogD (pH = 7.4)
-0.03843032
Log P
3.4595337
Molar Refractivity
92.8704
Polarizability
34.428055
Polar Surface Area
81.01
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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