2-(3-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C17H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(3-nitrophenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C17H15N3O4 |
| Smiles | [O-][N+](c1cc(OCC(N/N=C\C=C\c2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C17H15N3O4/c21-17(13-24-16-10-4-9-15(12-16)20(22)23)19-18-11-5-8-14-6-2-1-3-7-14/h1-12H,13H2,(H,19,21) |
| InChIK | XPMPOYHEHWROSV-UHFFFAOYSA-N |
| TotalMolweight | 325.323 |
| Molweight | 325.323 |
| MonoisotopicMass | 325.106257 |
| CLogP | 1.8732 |
| CLogS | -4.253 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 260.92 |
| Relative PSA | 0.29293 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.83669 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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