N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C10H6N3Cl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C10H6N3Cl3S |
| Smiles | Clc(cc1)c(/C=N/Nc2nccs2)c(Cl)c1Cl |
| InChI | InChI=1S/C10H6Cl3N3S/c11-7-1-2-8(12)9(13)6(7)5-15-16-10-14-3-4-17-10/h1-5H,(H,14,16) |
| InChIK | WHGCXUYNYXCLGI-UHFFFAOYSA-N |
| TotalMolweight | 306.604 |
| Molweight | 306.604 |
| MonoisotopicMass | 304.934798 |
| CLogP | 6.2842 |
| CLogS | -5.09 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 210.2 |
| Relative PSA | 0.25833 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 3.0067 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
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