3-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile
Formula:C11H5N4Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile is not a drug-like molecule.
| MolName | 3-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile |
| MolecularFormula | C11H5N4Cl3S |
| Smiles | N#Cc1c(N/N=C\c(ccc(Cl)c2)c2Cl)snc1Cl |
| InChI | InChI=1S/C11H5Cl3N4S/c12-7-2-1-6(9(13)3-7)5-16-17-11-8(4-15)10(14)18-19-11/h1-3,5,17H |
| InChIK | SJNMPMBDZFRTEE-UHFFFAOYSA-N |
| TotalMolweight | 331.614 |
| Molweight | 331.614 |
| MonoisotopicMass | 329.930047 |
| CLogP | 6.0572 |
| CLogS | -4.283 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.91 |
| Relative PSA | 0.29261 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -1.5162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile | 2 - 3-chloro-5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,2-thiazole-4-carbonitrile
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