(4E)-4-hydrazinylidene-N,1-bis(3-nitrophenyl)-2,5-dioxopyrrolidine-3-carboxamide
Formula:C17H12N6O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-hydrazinylidene-N,1-bis(3-nitrophenyl)-2,5-dioxopyrrolidine-3-carboxamide is not a drug-like molecule.
| MolName | (4E)-4-hydrazinylidene-N,1-bis(3-nitrophenyl)-2,5-dioxopyrrolidine-3-carboxamide |
| MolecularFormula | C17H12N6O7 |
| Smiles | N/N=C(\C(C(Nc1cc([N+]([O-])=O)ccc1)=O)C(N1c2cccc([N+]([O-])=O)c2)=O)/C1=O |
| InChI | InChI=1S/C17H12N6O7/c18-20-14-13(15(24)19-9-3-1-5-11(7-9)22(27)28)16(25)21(17(14)26)10-4-2-6-12(8-10)23(29)30/h1-8,13H,18H2,(H,19,24)/t13-/m0/s1 |
| InChIK | OTHCYWLPFLDTNF-ZDUSSCGKSA-N |
| TotalMolweight | 412.317 |
| Molweight | 412.317 |
| MonoisotopicMass | 412.076749 |
| CLogP | -0.9041 |
| CLogS | -4.461 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 285.86 |
| Relative PSA | 0.49587 |
| PolarSurfaceArea | 196.5 |
| Druglikeness | -2.2913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-hydrazinylidene-N,1-bis(3-nitrophenyl)-2,5-dioxopyrrolidine-3-carboxamide | 2 - (4E)-4-hydrazinylidene-N,1-bis(3-nitrophenyl)-2,5-dioxopyrrolidine-3-carboxamide
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