N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-6-oxo-1H-pyridazine-3-carboxamide
Formula:C14H11N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-6-oxo-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-6-oxo-1H-pyridazine-3-carboxamide |
| MolecularFormula | C14H11N5O4 |
| Smiles | [O-][N+](c1c(/C=C\C=N/NC(C(C=C2)=NNC2=O)=O)cccc1)=O |
| InChI | InChI=1S/C14H11N5O4/c20-13-8-7-11(16-17-13)14(21)18-15-9-3-5-10-4-1-2-6-12(10)19(22)23/h1-9H,(H,17,20)(H,18,21) |
| InChIK | WVJDLHYHFXPNAG-UHFFFAOYSA-N |
| TotalMolweight | 313.272 |
| Molweight | 313.272 |
| MonoisotopicMass | 313.081105 |
| CLogP | -0.2075 |
| CLogS | -3.694 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 242.58 |
| Relative PSA | 0.42229 |
| PolarSurfaceArea | 128.74 |
| Druglikeness | -0.66653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-6-oxo-1H-pyridazine-3-carboxamide | 2 - N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]-6-oxo-1H-pyridazine-3-carboxamide
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