(3Z)-N-(3,4-dichlorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide
Formula:C16H13N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-N-(3,4-dichlorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide is a drug-like molecule.
| MolName | (3Z)-N-(3,4-dichlorophenyl)-3-[(4-nitrophenyl)methoxyimino]propanamide |
| MolecularFormula | C16H13N3O4Cl2 |
| Smiles | [O-][N+](c1ccc(CO/N=C\CC(Nc(cc2)cc(Cl)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C16H13Cl2N3O4/c17-14-6-3-12(9-15(14)18)20-16(22)7-8-19-25-10-11-1-4-13(5-2-11)21(23)24/h1-6,8-9H,7,10H2,(H,20,22) |
| InChIK | ZMDBQBRIJXRPNH-UHFFFAOYSA-N |
| TotalMolweight | 382.202 |
| Molweight | 382.202 |
| MonoisotopicMass | 381.028311 |
| CLogP | 3.2119 |
| CLogS | -5.57 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 279.02 |
| Relative PSA | 0.27392 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.8959 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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