(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylethanone
Formula:C14H10N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylethanone is a drug-like molecule.
| MolName | (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylethanone |
| MolecularFormula | C14H10N4O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\C(c1ccccc1)=O)=O |
| InChI | InChI=1S/C14H10N4O5/c19-14(10-4-2-1-3-5-10)9-15-16-12-7-6-11(17(20)21)8-13(12)18(22)23/h1-9,16H |
| InChIK | KHWLHDOQRLUGSB-UHFFFAOYSA-N |
| TotalMolweight | 314.256 |
| Molweight | 314.256 |
| MonoisotopicMass | 314.065121 |
| CLogP | 1.7966 |
| CLogS | -4.137 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 234.33 |
| Relative PSA | 0.41331 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -2.731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylethanone | 2 - (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-phenylethanone
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