2-cyano-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C10H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C10H9N3O2 |
| Smiles | N#CCC(N/N=C\c1cc(O)ccc1)=O |
| InChI | InChI=1S/C10H9N3O2/c11-5-4-10(15)13-12-7-8-2-1-3-9(14)6-8/h1-3,6-7,14H,4H2,(H,13,15) |
| InChIK | VDDNXBZACBCBAE-UHFFFAOYSA-N |
| TotalMolweight | 203.2 |
| Molweight | 203.2 |
| MonoisotopicMass | 203.069477 |
| CLogP | 1.1121 |
| CLogS | -2.673 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 169.05 |
| Relative PSA | 0.37072 |
| PolarSurfaceArea | 85.48 |
| Druglikeness | -2.8975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| 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 | 2 |
| StereoCon |
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