N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C20H15N7O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C20H15N7O4 |
| Smiles | [O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)o1)=O |
| InChI | InChI=1S/C20H15N7O4/c28-19(13-26-24-20(23-25-26)14-6-2-1-3-7-14)22-21-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,22,28) |
| InChIK | YBQLANUSNKJZJG-UHFFFAOYSA-N |
| TotalMolweight | 417.384 |
| Molweight | 417.384 |
| MonoisotopicMass | 417.118553 |
| CLogP | 2.5302 |
| CLogS | -5.709 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 319.11 |
| Relative PSA | 0.37705 |
| PolarSurfaceArea | 144.02 |
| Druglikeness | -2.1093 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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