N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
Formula:C17H14N4O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is a drug-like molecule.
| MolName | N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide |
| MolecularFormula | C17H14N4O5Cl2 |
| Smiles | [O-][N+](c1cccc(NC(/C=N\OCC(NCc(ccc(Cl)c2)c2Cl)=O)=O)c1)=O |
| InChI | InChI=1S/C17H14Cl2N4O5/c18-12-5-4-11(15(19)6-12)8-20-17(25)10-28-21-9-16(24)22-13-2-1-3-14(7-13)23(26)27/h1-7,9H,8,10H2,(H,20,25)(H,22,24) |
| InChIK | BSICSZQXCQVALG-UHFFFAOYSA-N |
| TotalMolweight | 425.227 |
| Molweight | 425.227 |
| MonoisotopicMass | 424.034125 |
| CLogP | 1.8412 |
| CLogS | -5.067 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 308.23 |
| Relative PSA | 0.32745 |
| PolarSurfaceArea | 125.61 |
| Druglikeness | -2.4348 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide | 2 - N-[(2,4-dichlorophenyl)methyl]-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
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