(Z)-2-cyano-3-(2-nitrophenyl)-N-(2-phenoxyethyl)prop-2-enamide
Formula:C18H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-cyano-3-(2-nitrophenyl)-N-(2-phenoxyethyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2-cyano-3-(2-nitrophenyl)-N-(2-phenoxyethyl)prop-2-enamide |
| MolecularFormula | C18H15N3O4 |
| Smiles | N#C/C(/C(NCCOc1ccccc1)=O)=C/c(cccc1)c1[N+]([O-])=O |
| InChI | InChI=1S/C18H15N3O4/c19-13-15(12-14-6-4-5-9-17(14)21(23)24)18(22)20-10-11-25-16-7-2-1-3-8-16/h1-9,12H,10-11H2,(H,20,22) |
| InChIK | WTUDLAGIIXXVRZ-UHFFFAOYSA-N |
| TotalMolweight | 337.334 |
| Molweight | 337.334 |
| MonoisotopicMass | 337.106257 |
| CLogP | 1.783 |
| CLogS | -3.973 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 269.84 |
| Relative PSA | 0.29084 |
| PolarSurfaceArea | 107.94 |
| Druglikeness | -7.2275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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