N-[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]-4-nitrobenzamide
Formula:C15H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]-4-nitrobenzamide |
| MolecularFormula | C15H13N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C(/CCC1)\c2c1occ2)=O)=O |
| InChI | InChI=1S/C15H13N3O4/c19-15(10-4-6-11(7-5-10)18(20)21)17-16-13-2-1-3-14-12(13)8-9-22-14/h4-9H,1-3H2,(H,17,19) |
| InChIK | NVXVNSZBWGMKSW-UHFFFAOYSA-N |
| TotalMolweight | 299.285 |
| Molweight | 299.285 |
| MonoisotopicMass | 299.090607 |
| CLogP | 2.1414 |
| CLogS | -4.812 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 226.34 |
| Relative PSA | 0.35584 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -4.5065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-6,7-dihydro-5H-1-benzofuran-4-ylideneamino]-4-nitrobenzamide
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