3-chloro-5-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile
Formula:C11H6N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-5-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile is not a drug-like molecule.
| MolName | 3-chloro-5-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile |
| MolecularFormula | C11H6N4Cl2S |
| Smiles | N#Cc1c(N/N=C\c(cc2)ccc2Cl)snc1Cl |
| InChI | InChI=1S/C11H6Cl2N4S/c12-8-3-1-7(2-4-8)6-15-16-11-9(5-14)10(13)17-18-11/h1-4,6,16H |
| InChIK | IQTYPXURMFEPGW-UHFFFAOYSA-N |
| TotalMolweight | 297.169 |
| Molweight | 297.169 |
| MonoisotopicMass | 295.96902 |
| CLogP | 5.4512 |
| CLogS | -3.547 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.49 |
| Relative PSA | 0.31346 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -1.5162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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