[(Z)-1,6-naphthyridin-5-ylmethylideneamino]thiourea
Formula:C10H9N5S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-1,6-naphthyridin-5-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-1,6-naphthyridin-5-ylmethylideneamino]thiourea |
| MolecularFormula | C10H9N5S |
| Smiles | NC(N/N=C\c1nccc2ncccc12)=S |
| InChI | InChI=1S/C10H9N5S/c11-10(16)15-14-6-9-7-2-1-4-12-8(7)3-5-13-9/h1-6H,(H3,11,15,16) |
| InChIK | GPYVBYCAEMGLNF-UHFFFAOYSA-N |
| TotalMolweight | 231.282 |
| Molweight | 231.282 |
| MonoisotopicMass | 231.057865 |
| CLogP | 0.9011 |
| CLogS | -2.833 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 182.83 |
| Relative PSA | 0.48231 |
| PolarSurfaceArea | 108.28 |
| Druglikeness | 2.2769 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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