2-cyano-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C17H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C17H15N3O2 |
| Smiles | N#CCC(N/N=C\c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C17H15N3O2/c18-11-10-17(21)20-19-12-14-6-8-16(9-7-14)22-13-15-4-2-1-3-5-15/h1-9,12H,10,13H2,(H,20,21) |
| InChIK | CCYRDRJXORZVCA-UHFFFAOYSA-N |
| TotalMolweight | 293.325 |
| Molweight | 293.325 |
| MonoisotopicMass | 293.116427 |
| CLogP | 2.8059 |
| CLogS | -4.31 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.22 |
| Relative PSA | 0.24194 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -3.2314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
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