[(Z)-(1-amino-2-thiomorpholin-4-ylethylidene)amino] thiophene-2-carboxylate
Formula:C11H15N3O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1-amino-2-thiomorpholin-4-ylethylidene)amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-(1-amino-2-thiomorpholin-4-ylethylidene)amino] thiophene-2-carboxylate |
| MolecularFormula | C11H15N3O2S2 |
| Smiles | N/C(/CN1CCSCC1)=N\OC(c1cccs1)=O |
| InChI | InChI=1S/C11H15N3O2S2/c12-10(8-14-3-6-17-7-4-14)13-16-11(15)9-2-1-5-18-9/h1-2,5H,3-4,6-8H2,(H2,12,13) |
| InChIK | OXKPWSXLWXQAQD-UHFFFAOYSA-N |
| TotalMolweight | 285.391 |
| Molweight | 285.391 |
| MonoisotopicMass | 285.060567 |
| CLogP | 1.1643 |
| CLogS | -2.252 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.53 |
| Relative PSA | 0.43124 |
| PolarSurfaceArea | 121.46 |
| Druglikeness | 2.257 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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