(2E)-N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
Formula:C21H13N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide |
| MolecularFormula | C21H13N4ClS |
| Smiles | N#C/C(/c1nc(-c2cc3ccccc3cc2)cs1)=N\Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H13ClN4S/c22-17-7-9-18(10-8-17)25-26-19(12-23)21-24-20(13-27-21)16-6-5-14-3-1-2-4-15(14)11-16/h1-11,13,25H |
| InChIK | JQPDAHMANGTIME-UHFFFAOYSA-N |
| TotalMolweight | 388.881 |
| Molweight | 388.881 |
| MonoisotopicMass | 388.054943 |
| CLogP | 6.4051 |
| CLogS | -6.807 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.64 |
| Relative PSA | 0.2311 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -0.35901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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