3-(3-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C17H12N6O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-(3-nitrophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H12N6O5 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2cc(-c3cccc([N+]([O-])=O)c3)n[nH]2)=O)c1)=O |
| InChI | InChI=1S/C17H12N6O5/c24-17(21-18-10-11-3-1-5-13(7-11)22(25)26)16-9-15(19-20-16)12-4-2-6-14(8-12)23(27)28/h1-10H,(H,19,20)(H,21,24) |
| InChIK | MZGGZCIIMIXDPV-UHFFFAOYSA-N |
| TotalMolweight | 380.319 |
| Molweight | 380.319 |
| MonoisotopicMass | 380.086919 |
| CLogP | 1.0562 |
| CLogS | -5.016 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 282.42 |
| Relative PSA | 0.43131 |
| PolarSurfaceArea | 161.78 |
| Druglikeness | 0.51666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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