5-[(2Z)-2-benzylidenehydrazinyl]-3-chloro-1,2-thiazole-4-carbonitrile
Formula:C11H7N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-benzylidenehydrazinyl]-3-chloro-1,2-thiazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(2Z)-2-benzylidenehydrazinyl]-3-chloro-1,2-thiazole-4-carbonitrile |
| MolecularFormula | C11H7N4ClS |
| Smiles | N#Cc1c(N/N=C\c2ccccc2)snc1Cl |
| InChI | InChI=1S/C11H7ClN4S/c12-10-9(6-13)11(17-16-10)15-14-7-8-4-2-1-3-5-8/h1-5,7,15H |
| InChIK | NFTJRSAYSYEXQP-UHFFFAOYSA-N |
| TotalMolweight | 262.724 |
| Molweight | 262.724 |
| MonoisotopicMass | 262.007993 |
| CLogP | 4.8452 |
| CLogS | -2.811 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.07 |
| Relative PSA | 0.33749 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -1.5162 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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