(1Z)-N-anilino-2-cyclopropyl-2-oxoethanimidoyl cyanide
Formula:C12H11N3O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1Z)-N-anilino-2-cyclopropyl-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-anilino-2-cyclopropyl-2-oxoethanimidoyl cyanide |
| MolecularFormula | C12H11N3O |
| Smiles | N#C/C(/C(C1CC1)=O)=N/Nc1ccccc1 |
| InChI | InChI=1S/C12H11N3O/c13-8-11(12(16)9-6-7-9)15-14-10-4-2-1-3-5-10/h1-5,9,14H,6-7H2 |
| InChIK | FMNOXWSHRIEFPY-UHFFFAOYSA-N |
| TotalMolweight | 213.239 |
| Molweight | 213.239 |
| MonoisotopicMass | 213.090212 |
| CLogP | 2.5917 |
| CLogS | -2.701 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 173.67 |
| Relative PSA | 0.28543 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -1.2014 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
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