N-[(Z)-(3,3-dioxo-3lambda6-thiatricyclo[5.2.1.02,6]dec-8-en-5-ylidene)amino]aniline
Formula:C15H16N2O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3,3-dioxo-3lambda6-thiatricyclo[5.2.1.02,6]dec-8-en-5-ylidene)amino]aniline is a drug-like molecule.
| MolName | N-[(Z)-(3,3-dioxo-3lambda6-thiatricyclo[5.2.1.02,6]dec-8-en-5-ylidene)amino]aniline |
| MolecularFormula | C15H16N2O2S |
| Smiles | O=S(C1)(C(C2C=CC3C2)C3/C1=N/Nc1ccccc1)=O |
| InChI | InChI=1S/C15H16N2O2S/c18-20(19)9-13(17-16-12-4-2-1-3-5-12)14-10-6-7-11(8-10)15(14)20/h1-7,10-11,14-16H,8-9H2 |
| InChIK | HPCDIHLTINGUQN-UHFFFAOYSA-N |
| TotalMolweight | 288.37 |
| Molweight | 288.37 |
| MonoisotopicMass | 288.093248 |
| CLogP | 3.3598 |
| CLogS | -2.871 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 199.79 |
| Relative PSA | 0.25802 |
| PolarSurfaceArea | 66.91 |
| Druglikeness | -1.7722 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-(3,3-dioxo-3lambda6-thiatricyclo[5.2.1.02,6]dec-8-en-5-ylidene)amino]aniline | 2 - N-[(Z)-(3,3-dioxo-3lambda6-thiatricyclo[5.2.1.02,6]dec-8-en-5-ylidene)amino]aniline
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