1-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
Formula:C12H8N7O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine |
| MolecularFormula | C12H8N7O3Br |
| Smiles | Nc1nnnn1/N=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Br)o1 |
| InChI | InChI=1S/C12H8BrN7O3/c13-10-5-7(20(21)22)1-3-9(10)11-4-2-8(23-11)6-15-19-12(14)16-17-18-19/h1-6H,(H2,14,16,18) |
| InChIK | NMGPPLHHLJLCOR-UHFFFAOYSA-N |
| TotalMolweight | 378.146 |
| Molweight | 378.146 |
| MonoisotopicMass | 376.987199 |
| CLogP | 1.969 |
| CLogS | -6.541 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 243.53 |
| Relative PSA | 0.45617 |
| PolarSurfaceArea | 140.94 |
| Druglikeness | -3.0946 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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