4-(4-chlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
Formula:C14H9N4O3ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-(4-chlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-chlorophenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C14H9N4O3ClS |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(-c(cc3)ccc3Cl)cs2)o1)=O |
| InChI | InChI=1S/C14H9ClN4O3S/c15-10-3-1-9(2-4-10)12-8-23-14(17-12)18-16-7-11-5-6-13(22-11)19(20)21/h1-8H,(H,17,18) |
| InChIK | VSCKHUVXDVEBQX-UHFFFAOYSA-N |
| TotalMolweight | 348.769 |
| Molweight | 348.769 |
| MonoisotopicMass | 348.008388 |
| CLogP | 5.2705 |
| CLogS | -6.063 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 252.48 |
| Relative PSA | 0.39144 |
| PolarSurfaceArea | 124.48 |
| Druglikeness | 2.2429 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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