(1E)-2-(azepan-1-yl)-N-(2-chloroanilino)-2-oxoethanimidoyl cyanide
Formula:C15H17N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-(azepan-1-yl)-N-(2-chloroanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-(azepan-1-yl)-N-(2-chloroanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C15H17N4OCl |
| Smiles | N#C/C(/C(N1CCCCCC1)=O)=N\Nc(cccc1)c1Cl |
| InChI | InChI=1S/C15H17ClN4O/c16-12-7-3-4-8-13(12)18-19-14(11-17)15(21)20-9-5-1-2-6-10-20/h3-4,7-8,18H,1-2,5-6,9-10H2 |
| InChIK | LXOHUTPQPSVNEB-UHFFFAOYSA-N |
| TotalMolweight | 304.78 |
| Molweight | 304.78 |
| MonoisotopicMass | 304.109088 |
| CLogP | 3.8971 |
| CLogS | -3.33 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 241.93 |
| Relative PSA | 0.21957 |
| PolarSurfaceArea | 68.49 |
| Druglikeness | -2.785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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