1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
Formula:C12H9N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine |
| MolecularFormula | C12H9N7O3 |
| Smiles | Nc1nnnn1/N=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1 |
| InChI | InChI=1S/C12H9N7O3/c13-12-15-16-17-18(12)14-7-10-5-6-11(22-10)8-1-3-9(4-2-8)19(20)21/h1-7H,(H2,13,15,17) |
| InChIK | QZLJEIVEPQFDFV-UHFFFAOYSA-N |
| TotalMolweight | 299.249 |
| Molweight | 299.249 |
| MonoisotopicMass | 299.076688 |
| CLogP | 1.2438 |
| CLogS | -5.707 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 224.9 |
| Relative PSA | 0.49395 |
| PolarSurfaceArea | 140.94 |
| Druglikeness | -1.3046 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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