N-[(9Z)-9-(carbamothioylhydrazinylidene)-2,7-dichlorofluoren-4-yl]-2,2-dichloroacetamide
Formula:C16H10N4OCl4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(9Z)-9-(carbamothioylhydrazinylidene)-2,7-dichlorofluoren-4-yl]-2,2-dichloroacetamide is a drug-like molecule.
| MolName | N-[(9Z)-9-(carbamothioylhydrazinylidene)-2,7-dichlorofluoren-4-yl]-2,2-dichloroacetamide |
| MolecularFormula | C16H10N4OCl4S |
| Smiles | NC(N/N=C1\c2cc(Cl)cc(NC(C(Cl)Cl)=O)c2-c(cc2)c1cc2Cl)=S |
| InChI | InChI=1S/C16H10Cl4N4OS/c17-6-1-2-8-9(3-6)13(23-24-16(21)26)10-4-7(18)5-11(12(8)10)22-15(25)14(19)20/h1-5,14H,(H,22,25)(H3,21,24,26) |
| InChIK | FHDOVIVGTXHLOM-UHFFFAOYSA-N |
| TotalMolweight | 448.16 |
| Molweight | 448.16 |
| MonoisotopicMass | 445.932939 |
| CLogP | 4.6622 |
| CLogS | -8.186 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 298.57 |
| Relative PSA | 0.30392 |
| PolarSurfaceArea | 111.6 |
| Druglikeness | 2.6711 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-[(9Z)-9-(carbamothioylhydrazinylidene)-2,7-dichlorofluoren-4-yl]-2,2-dichloroacetamide | 2 - N-[(9Z)-9-(carbamothioylhydrazinylidene)-2,7-dichlorofluoren-4-yl]-2,2-dichloroacetamide
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