1-amino-2-[(E)-2-chloroethenyl]sulfanylanthracene-9,10-dione
Formula:C16H10NO2ClS
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
1-amino-2-[(E)-2-chloroethenyl]sulfanylanthracene-9,10-dione is a drug-like molecule.
| MolName | 1-amino-2-[(E)-2-chloroethenyl]sulfanylanthracene-9,10-dione |
| MolecularFormula | C16H10NO2ClS |
| Smiles | Nc(c(C(c1c2cccc1)=O)c(cc1)C2=O)c1S/C=C/Cl |
| InChI | InChI=1S/C16H10ClNO2S/c17-7-8-21-12-6-5-11-13(14(12)18)16(20)10-4-2-1-3-9(10)15(11)19/h1-8H,18H2 |
| InChIK | WRJHYLHSYARSKH-UHFFFAOYSA-N |
| TotalMolweight | 315.779 |
| Molweight | 315.779 |
| MonoisotopicMass | 315.012076 |
| CLogP | 3.2288 |
| CLogS | -6.407 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 222.95 |
| Relative PSA | 0.26392 |
| PolarSurfaceArea | 85.46 |
| Druglikeness | -0.10428 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| 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-2-[(E)-2-chloroethenyl]sulfanylanthracene-9,10-dione | 2 - 1-amino-2-[(E)-2-chloroethenyl]sulfanylanthracene-9,10-dione
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