(2E)-N-(naphthalen-1-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C19H12N4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2E)-N-(naphthalen-1-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide is not a drug-like molecule.
| MolName | (2E)-N-(naphthalen-1-ylamino)-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C19H12N4S |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N\Nc1cccc2ccccc12 |
| InChI | InChI=1S/C19H12N4S/c20-12-17(19-21-16-9-3-4-11-18(16)24-19)23-22-15-10-5-7-13-6-1-2-8-14(13)15/h1-11,22H |
| InChIK | XPXQVWPFRFWPJX-UHFFFAOYSA-N |
| TotalMolweight | 328.398 |
| Molweight | 328.398 |
| MonoisotopicMass | 328.078266 |
| CLogP | 5.226 |
| CLogS | -5.527 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.06 |
| Relative PSA | 0.26816 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -1.7925 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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