(1Z)-2-amino-N-(4-morpholin-4-ylsulfonylanilino)-2-oxoethanimidoyl cyanide
Formula:C13H15N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(1Z)-2-amino-N-(4-morpholin-4-ylsulfonylanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-N-(4-morpholin-4-ylsulfonylanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C13H15N5O4S |
| Smiles | NC(/C(/C#N)=N\Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=O |
| InChI | InChI=1S/C13H15N5O4S/c14-9-12(13(15)19)17-16-10-1-3-11(4-2-10)23(20,21)18-5-7-22-8-6-18/h1-4,16H,5-8H2,(H2,15,19) |
| InChIK | HKHSLKHQAVJIMB-UHFFFAOYSA-N |
| TotalMolweight | 337.359 |
| Molweight | 337.359 |
| MonoisotopicMass | 337.084475 |
| CLogP | 0.2409 |
| CLogS | -1.02 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 246.09 |
| Relative PSA | 0.43468 |
| PolarSurfaceArea | 146.26 |
| Druglikeness | 0.15077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| StereoCon |
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