N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine
Formula:C12H9N6OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C12H9N6OBr |
| Smiles | Brc1cc(-c2ccc(/C=N\Nc3n[nH]nn3)o2)ccc1 |
| InChI | InChI=1S/C12H9BrN6O/c13-9-3-1-2-8(6-9)11-5-4-10(20-11)7-14-15-12-16-18-19-17-12/h1-7H,(H2,15,16,17,18,19) |
| InChIK | LPJKGMRCRSVFTM-UHFFFAOYSA-N |
| TotalMolweight | 333.148 |
| Molweight | 333.148 |
| MonoisotopicMass | 332.00212 |
| CLogP | 4.4979 |
| CLogS | -4.851 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 223.17 |
| Relative PSA | 0.37631 |
| PolarSurfaceArea | 91.99 |
| Druglikeness | -1.3525 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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