[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiourea
Formula:C8H6N3OBr3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C8H6N3OBr3S |
| Smiles | NC(N/N=C\c(c(Br)c(c(Br)c1)O)c1Br)=S |
| InChI | InChI=1S/C8H6Br3N3OS/c9-4-1-5(10)7(15)6(11)3(4)2-13-14-8(12)16/h1-2,15H,(H3,12,14,16) |
| InChIK | RVDHYXBVIGEFMJ-UHFFFAOYSA-N |
| TotalMolweight | 431.934 |
| Molweight | 431.934 |
| MonoisotopicMass | 428.778165 |
| CLogP | 3.3619 |
| CLogS | -5.104 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 212.95 |
| Relative PSA | 0.37258 |
| PolarSurfaceArea | 102.73 |
| Druglikeness | 0.37658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea; polyhalo aromatic ring |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiourea | 2 - [(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]thiourea
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