1,1-dioxo-N-[(Z)-quinolin-2-ylmethylideneamino]thiophen-3-amine
Formula:C14H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,1-dioxo-N-[(Z)-quinolin-2-ylmethylideneamino]thiophen-3-amine is a drug-like molecule.
| MolName | 1,1-dioxo-N-[(Z)-quinolin-2-ylmethylideneamino]thiophen-3-amine |
| MolecularFormula | C14H11N3O2S |
| Smiles | O=S(C=C1)(C=C1N/N=C\c1nc2ccccc2cc1)=O |
| InChI | InChI=1S/C14H11N3O2S/c18-20(19)8-7-13(10-20)17-15-9-12-6-5-11-3-1-2-4-14(11)16-12/h1-10,17H |
| InChIK | SMZQHTKYOFCVEP-UHFFFAOYSA-N |
| TotalMolweight | 285.326 |
| Molweight | 285.326 |
| MonoisotopicMass | 285.057197 |
| CLogP | 1.9847 |
| CLogS | -3.765 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 209.13 |
| Relative PSA | 0.29895 |
| PolarSurfaceArea | 79.8 |
| Druglikeness | 2.2654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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