[(E)-N'-anilino-N-phenyliminocarbamimidoyl]sulfanyl-phenylmercury
Formula:C19H16N4HgS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-N'-anilino-N-phenyliminocarbamimidoyl]sulfanyl-phenylmercury is not a drug-like molecule.
| MolName | [(E)-N'-anilino-N-phenyliminocarbamimidoyl]sulfanyl-phenylmercury |
| MolecularFormula | C19H16N4HgS |
| Smiles | c(cc1)ccc1N/N=C(\N=N\c1ccccc1)/S[Hg]c1ccccc1 |
| InChI | InChI=1S/C13H12N4S.C6H5.Hg/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12;1-2-4-6-5-3-1;/h1-10,14H,(H,16,18);1-5H;/q;;+1/p-1 |
| InChIK | OVGGXKLIUTZBFI-UHFFFAOYSA-M |
| TotalMolweight | 533.02 |
| Molweight | 533.02 |
| MonoisotopicMass | 534.080183 |
| CLogP | 6.9535 |
| CLogS | -5.336 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.72 |
| Relative PSA | 0.23711 |
| PolarSurfaceArea | 74.41 |
| Druglikeness | -3.4588 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | azo; unwanted atom |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Metal Atoms | 1 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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