N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyanoacetamide
Formula:C10H8N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C10H8N3OCl |
| Smiles | N#CCC(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C10H8ClN3O/c11-9-3-1-8(2-4-9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15) |
| InChIK | UQLGQJKFIOJSPN-UHFFFAOYSA-N |
| TotalMolweight | 221.647 |
| Molweight | 221.647 |
| MonoisotopicMass | 221.035589 |
| CLogP | 2.0638 |
| CLogS | -3.705 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 178.12 |
| Relative PSA | 0.2783 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -2.8495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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