3-chloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide
Formula:C19H13N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]benzamide |
| MolecularFormula | C19H13N4O4Cl |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=N\NC(c2cccc(Cl)c2)=O)cc1)=O |
| InChI | InChI=1S/C19H13ClN4O4/c20-15-3-1-2-14(10-15)19(25)23-22-11-13-4-7-17(8-5-13)28-18-9-6-16(12-21-18)24(26)27/h1-12H,(H,23,25) |
| InChIK | LIXGDPIJSHDWQL-UHFFFAOYSA-N |
| TotalMolweight | 396.789 |
| Molweight | 396.789 |
| MonoisotopicMass | 396.062533 |
| CLogP | 3.6321 |
| CLogS | -6.944 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 294.6 |
| Relative PSA | 0.29667 |
| 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 | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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