3,4-dichloro-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H12N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H12N4O4Cl2 |
| Smiles | [O-][N+](c1c(/C=N\NC(CNC(c(cc2)cc(Cl)c2Cl)=O)=O)cccc1)=O |
| InChI | InChI=1S/C16H12Cl2N4O4/c17-12-6-5-10(7-13(12)18)16(24)19-9-15(23)21-20-8-11-3-1-2-4-14(11)22(25)26/h1-8H,9H2,(H,19,24)(H,21,23) |
| InChIK | MGDXLNPLERVWHX-UHFFFAOYSA-N |
| TotalMolweight | 395.201 |
| Molweight | 395.201 |
| MonoisotopicMass | 394.02356 |
| CLogP | 2.5757 |
| CLogS | -5.42 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 284.47 |
| Relative PSA | 0.31965 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 0.24684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 3,4-dichloro-N-[2-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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