5-chloro-N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
Formula:C19H11N2O3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-chloro-N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | 5-chloro-N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide |
| MolecularFormula | C19H11N2O3Cl3 |
| Smiles | C#CCOc(c(Cl)cc(/C=N\NC(c1cc(cc(cc2)Cl)c2o1)=O)c1)c1Cl |
| InChI | InChI=1S/C19H11Cl3N2O3/c1-2-5-26-18-14(21)6-11(7-15(18)22)10-23-24-19(25)17-9-12-8-13(20)3-4-16(12)27-17/h1,3-4,6-10H,5H2,(H,24,25) |
| InChIK | XZSAKUPABWFPII-UHFFFAOYSA-N |
| TotalMolweight | 421.666 |
| Molweight | 421.666 |
| MonoisotopicMass | 419.983524 |
| CLogP | 5.4824 |
| CLogS | -7.754 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.11 |
| Relative PSA | 0.19704 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 4.565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 5-chloro-N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide | 2 - 5-chloro-N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
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