2-cyano-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C16H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N3O2 |
| Smiles | N#CCC(N/N=C\c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C16H13N3O2/c17-10-9-16(20)19-18-12-13-5-4-8-15(11-13)21-14-6-2-1-3-7-14/h1-8,11-12H,9H2,(H,19,20) |
| InChIK | MOHTXXUYVZVFMY-UHFFFAOYSA-N |
| TotalMolweight | 279.298 |
| Molweight | 279.298 |
| MonoisotopicMass | 279.100777 |
| CLogP | 2.8534 |
| CLogS | -5.266 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.46 |
| Relative PSA | 0.25626 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -2.9768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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