(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-(furan-2-yl)ethanone
Formula:C12H8N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-(furan-2-yl)ethanone is a drug-like molecule.
| MolName | (2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1-(furan-2-yl)ethanone |
| MolecularFormula | C12H8N4O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\C(c1ccco1)=O)=O |
| InChI | InChI=1S/C12H8N4O6/c17-11(12-2-1-5-22-12)7-13-14-9-4-3-8(15(18)19)6-10(9)16(20)21/h1-7,14H |
| InChIK | AOKYHEBGIBDDBS-UHFFFAOYSA-N |
| TotalMolweight | 304.218 |
| Molweight | 304.218 |
| MonoisotopicMass | 304.044386 |
| CLogP | 0.9853 |
| CLogS | -3.819 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 224.02 |
| Relative PSA | 0.49531 |
| PolarSurfaceArea | 146.24 |
| Druglikeness | -2.4279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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