N-(2-cyanoethyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-phenylacetamide
Formula:C18H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-(2-cyanoethyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-phenylacetamide is a drug-like molecule.
| MolName | N-(2-cyanoethyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxy-N-phenylacetamide |
| MolecularFormula | C18H16N4O4 |
| Smiles | N#CCCN(C(CO/N=C\c1cccc([N+]([O-])=O)c1)=O)c1ccccc1 |
| InChI | InChI=1S/C18H16N4O4/c19-10-5-11-21(16-7-2-1-3-8-16)18(23)14-26-20-13-15-6-4-9-17(12-15)22(24)25/h1-4,6-9,12-13H,5,11,14H2 |
| InChIK | ZSIUQPIRFZWMAD-UHFFFAOYSA-N |
| TotalMolweight | 352.349 |
| Molweight | 352.349 |
| MonoisotopicMass | 352.117156 |
| CLogP | 2.6441 |
| CLogS | -4.747 |
| H Acceptors | 8 |
| TotalSurfaceArea | 282.49 |
| Relative PSA | 0.29056 |
| PolarSurfaceArea | 111.51 |
| Druglikeness | -8.2473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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