3,4-dichloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide
Formula:C19H12N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide |
| MolecularFormula | C19H12N4O4Cl2 |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=N\NC(c(cc2)cc(Cl)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C19H12Cl2N4O4/c20-16-7-3-13(9-17(16)21)19(26)24-23-10-12-1-5-15(6-2-12)29-18-8-4-14(11-22-18)25(27)28/h1-11H,(H,24,26) |
| InChIK | GYPYISYCYSJZJO-UHFFFAOYSA-N |
| TotalMolweight | 431.234 |
| Molweight | 431.234 |
| MonoisotopicMass | 430.02356 |
| CLogP | 4.2381 |
| CLogS | -7.68 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 310.02 |
| Relative PSA | 0.28192 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -0.8274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide | 2 - 3,4-dichloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide
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