[(Z)-[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-2-yl]methylideneamino]thiourea
Formula:C9H11N7S2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-2-yl]methylideneamino]thiourea |
| MolecularFormula | C9H11N7S2 |
| Smiles | NC(N/N=C\c1cccc(/C=N\NC(N)=S)n1)=S |
| InChI | InChI=1S/C9H11N7S2/c10-8(17)15-12-4-6-2-1-3-7(14-6)5-13-16-9(11)18/h1-5H,(H3,10,15,17)(H3,11,16,18) |
| InChIK | OJRZZSNLXKMWAP-UHFFFAOYSA-N |
| TotalMolweight | 281.367 |
| Molweight | 281.367 |
| MonoisotopicMass | 281.051733 |
| CLogP | 0.5115 |
| CLogS | -3.433 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 226.92 |
| Relative PSA | 0.63216 |
| PolarSurfaceArea | 177.89 |
| Druglikeness | 2.2769 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-2-yl]methylideneamino]thiourea | 2 - [(Z)-[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-2-yl]methylideneamino]thiourea
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