(2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dinitrophenyl)-2-hydrazinylidenepropanamide
Formula:C24H17N7O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dinitrophenyl)-2-hydrazinylidenepropanamide is not a drug-like molecule.
| MolName | (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dinitrophenyl)-2-hydrazinylidenepropanamide |
| MolecularFormula | C24H17N7O7 |
| Smiles | N/N=C(/CC1=Nc(ccc(C(c2ccccc2)=O)c2)c2NC1=O)\C(Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C24H17N7O7/c25-29-20(24(34)27-17-9-7-15(30(35)36)11-21(17)31(37)38)12-19-23(33)28-18-10-14(6-8-16(18)26-19)22(32)13-4-2-1-3-5-13/h1-11H,12,25H2,(H,27,34)(H,28,33) |
| InChIK | AXOIWUIQJOTEHX-UHFFFAOYSA-N |
| TotalMolweight | 515.441 |
| Molweight | 515.441 |
| MonoisotopicMass | 515.118948 |
| CLogP | -0.0355 |
| CLogS | -6.651 |
| H Acceptors | 14 |
| H Donors | 3 |
| TotalSurfaceArea | 371.01 |
| Relative PSA | 0.43441 |
| PolarSurfaceArea | 217.65 |
| Druglikeness | -3.3888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dinitrophenyl)-2-hydrazinylidenepropanamide | 2 - (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-(2,4-dinitrophenyl)-2-hydrazinylidenepropanamide
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