[(Z)-(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
Formula:C11H6N3O2Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(Z)-(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C11H6N3O2Cl3S |
| Smiles | O=C(Nc(cc1)ccc1Cl)O/N=C\c(sc(Cl)n1)c1Cl |
| InChI | InChI=1S/C11H6Cl3N3O2S/c12-6-1-3-7(4-2-6)16-11(18)19-15-5-8-9(13)17-10(14)20-8/h1-5H,(H,16,18) |
| InChIK | UKDZIBOUXXNFOX-UHFFFAOYSA-N |
| TotalMolweight | 350.613 |
| Molweight | 350.613 |
| MonoisotopicMass | 348.924628 |
| CLogP | 5.2344 |
| CLogS | -5.97 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 237.95 |
| Relative PSA | 0.32503 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | -4.4165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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