4-[(Z)-C-[4-(4-nitrophenyl)piperazin-1-yl]-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine
Formula:C20H21N7O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-C-[4-(4-nitrophenyl)piperazin-1-yl]-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine is not a drug-like molecule.
| MolName | 4-[(Z)-C-[4-(4-nitrophenyl)piperazin-1-yl]-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine |
| MolecularFormula | C20H21N7O4 |
| Smiles | Nc1nonc1/C(/N(CC1)CCN1c(cc1)ccc1[N+]([O-])=O)=N/OCc1ccccc1 |
| InChI | InChI=1S/C20H21N7O4/c21-19-18(22-31-23-19)20(24-30-14-15-4-2-1-3-5-15)26-12-10-25(11-13-26)16-6-8-17(9-7-16)27(28)29/h1-9H,10-14H2,(H2,21,23) |
| InChIK | YTEKAOHBEGBIIE-UHFFFAOYSA-N |
| TotalMolweight | 423.432 |
| Molweight | 423.432 |
| MonoisotopicMass | 423.165503 |
| CLogP | 2.4991 |
| CLogS | -3.703 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 321.05 |
| Relative PSA | 0.34372 |
| PolarSurfaceArea | 138.83 |
| Druglikeness | 0.60718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-C-[4-(4-nitrophenyl)piperazin-1-yl]-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine | 2 - 4-[(Z)-C-[4-(4-nitrophenyl)piperazin-1-yl]-N-phenylmethoxycarbonimidoyl]-1,2,5-oxadiazol-3-amine
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