2-(5-morpholin-4-yltetrazol-2-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C18H18N8O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(5-morpholin-4-yltetrazol-2-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-morpholin-4-yltetrazol-2-yl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C18H18N8O5 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(Cn3nnc(N4CCOCC4)n3)=O)o2)ccc1)=O |
| InChI | InChI=1S/C18H18N8O5/c27-17(12-25-22-18(21-23-25)24-6-8-30-9-7-24)20-19-11-15-4-5-16(31-15)13-2-1-3-14(10-13)26(28)29/h1-5,10-11H,6-9,12H2,(H,20,27) |
| InChIK | WSRADJCXYWWXBM-UHFFFAOYSA-N |
| TotalMolweight | 426.392 |
| Molweight | 426.392 |
| MonoisotopicMass | 426.140017 |
| CLogP | 0.9257 |
| CLogS | -3.938 |
| H Acceptors | 13 |
| H Donors | 1 |
| TotalSurfaceArea | 321.19 |
| Relative PSA | 0.41679 |
| PolarSurfaceArea | 156.49 |
| Druglikeness | -1.4471 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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