N-[(Z)-anthracen-1-ylmethylideneamino]-1,1-dioxothiophen-3-amine
Formula:C19H14N2O2S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-1-ylmethylideneamino]-1,1-dioxothiophen-3-amine is a drug-like molecule.
| MolName | N-[(Z)-anthracen-1-ylmethylideneamino]-1,1-dioxothiophen-3-amine |
| MolecularFormula | C19H14N2O2S |
| Smiles | O=S(C=C1)(C=C1N/N=C\c1cccc2cc3ccccc3cc12)=O |
| InChI | InChI=1S/C19H14N2O2S/c22-24(23)9-8-18(13-24)21-20-12-17-7-3-6-16-10-14-4-1-2-5-15(14)11-19(16)17/h1-13,21H |
| InChIK | QPUQFSIJGWYSIU-UHFFFAOYSA-N |
| TotalMolweight | 334.398 |
| Molweight | 334.398 |
| MonoisotopicMass | 334.077598 |
| CLogP | 4.0035 |
| CLogS | -6.247 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.97 |
| Relative PSA | 0.21043 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -1.8515 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| StereoCon |
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