1-amino-9,10-dioxoanthracene-2-thiolate
Formula:C14H8NO2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-amino-9,10-dioxoanthracene-2-thiolate is a drug-like molecule.
| MolName | 1-amino-9,10-dioxoanthracene-2-thiolate |
| MolecularFormula | C14H8NO2S |
| Smiles | Nc(c(C(c1c2cccc1)=O)c(cc1)C2=O)c1[S-] |
| InChI | InChI=1S/C14H9NO2S/c15-12-10(18)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,18H,15H2/p-1 |
| InChIK | INMWCLDUDNFUNQ-UHFFFAOYSA-M |
| TotalMolweight | 254.289 |
| Molweight | 254.289 |
| MonoisotopicMass | 254.027574 |
| CLogP | 2.3586 |
| CLogS | -5.912 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 156.79 |
| Relative PSA | 0.26373 |
| PolarSurfaceArea | 60.16 |
| Druglikeness | -0.88417 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 1-amino-9,10-dioxoanthracene-2-thiolate | 2 - 1-amino-9,10-dioxoanthracene-2-thiolate
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