2-(5-aminotetrazol-1-yl)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C14H12N8O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C14H12N8O4 |
| Smiles | Nc1nnnn1CC(N/N=C\c1ccc(-c(cccc2)c2[N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C14H12N8O4/c15-14-18-19-20-21(14)8-13(23)17-16-7-9-5-6-12(26-9)10-3-1-2-4-11(10)22(24)25/h1-7H,8H2,(H,17,23)(H2,15,18,20) |
| InChIK | YWEXRWBXVZXBIZ-UHFFFAOYSA-N |
| TotalMolweight | 356.301 |
| Molweight | 356.301 |
| MonoisotopicMass | 356.098152 |
| CLogP | 0.1978 |
| CLogS | -4.786 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 267.87 |
| Relative PSA | 0.50618 |
| PolarSurfaceArea | 170.04 |
| Druglikeness | 0.9625 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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