[(Z)-(5-iodopyridin-2-yl)methylideneamino]thiourea
Formula:C7H7N4IS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-(5-iodopyridin-2-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(5-iodopyridin-2-yl)methylideneamino]thiourea |
| MolecularFormula | C7H7N4IS |
| Smiles | NC(N/N=C\c(cc1)ncc1I)=S |
| InChI | InChI=1S/C7H7IN4S/c8-5-1-2-6(10-3-5)4-11-12-7(9)13/h1-4H,(H3,9,12,13) |
| InChIK | POYHDISZSZNNDU-UHFFFAOYSA-N |
| TotalMolweight | 306.127 |
| Molweight | 306.127 |
| MonoisotopicMass | 305.943614 |
| CLogP | 1.0222 |
| CLogS | -3.143 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 175.75 |
| Relative PSA | 0.43932 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | 2.8214 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-(5-iodopyridin-2-yl)methylideneamino]thiourea | 2 - [(Z)-(5-iodopyridin-2-yl)methylideneamino]thiourea
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