N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
Formula:C16H11N4O2ClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C16H11N4O2ClS |
| Smiles | [O-][N+](c(cc1)ccc1-c1csc(N/N=C\c(cc2)ccc2Cl)n1)=O |
| InChI | InChI=1S/C16H11ClN4O2S/c17-13-5-1-11(2-6-13)9-18-20-16-19-15(10-24-16)12-3-7-14(8-4-12)21(22)23/h1-10H,(H,19,20) |
| InChIK | POCNDKUFTKFWEH-UHFFFAOYSA-N |
| TotalMolweight | 358.808 |
| Molweight | 358.808 |
| MonoisotopicMass | 358.029123 |
| CLogP | 5.7304 |
| CLogS | -5.856 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.79 |
| Relative PSA | 0.32239 |
| PolarSurfaceArea | 111.34 |
| Druglikeness | -1.2517 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
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