N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine
Formula:C12H9N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C12H9N7O3 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\Nc3n[nH]nn3)o2)ccc1)=O |
| InChI | InChI=1S/C12H9N7O3/c20-19(21)9-3-1-2-8(6-9)11-5-4-10(22-11)7-13-14-12-15-17-18-16-12/h1-7H,(H2,14,15,16,17,18) |
| InChIK | CEYNFNFHSSBBKR-UHFFFAOYSA-N |
| TotalMolweight | 299.249 |
| Molweight | 299.249 |
| MonoisotopicMass | 299.076688 |
| CLogP | 2.8511 |
| CLogS | -4.477 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 228.21 |
| Relative PSA | 0.50129 |
| PolarSurfaceArea | 137.81 |
| Druglikeness | -4.693 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| 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 | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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