N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
Formula:C12H8N4O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C12H8N4O3S |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(cccc3)c3s2)o1)=O |
| InChI | InChI=1S/C12H8N4O3S/c17-16(18)11-6-5-8(19-11)7-13-15-12-14-9-3-1-2-4-10(9)20-12/h1-7H,(H,14,15) |
| InChIK | JBOCJBPPKFFPHW-UHFFFAOYSA-N |
| TotalMolweight | 288.287 |
| Molweight | 288.287 |
| MonoisotopicMass | 288.031711 |
| CLogP | 4.0914 |
| CLogS | -4.783 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 211.9 |
| Relative PSA | 0.4664 |
| PolarSurfaceArea | 124.48 |
| Druglikeness | 1.24 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 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 | 14 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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