(E)-N-[2-(2-benzylphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
Formula:C24H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-N-[2-(2-benzylphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(2-benzylphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide |
| MolecularFormula | C24H22N2O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NCCOc2c(Cc3ccccc3)cccc2)=O)cc1)=O |
| InChI | InChI=1S/C24H22N2O4/c27-24(15-12-19-10-13-22(14-11-19)26(28)29)25-16-17-30-23-9-5-4-8-21(23)18-20-6-2-1-3-7-20/h1-15H,16-18H2,(H,25,27) |
| InChIK | OQSVNMGKKZSOCW-UHFFFAOYSA-N |
| TotalMolweight | 402.449 |
| Molweight | 402.449 |
| MonoisotopicMass | 402.157958 |
| CLogP | 3.7469 |
| CLogS | -5.412 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 323.44 |
| Relative PSA | 0.20072 |
| PolarSurfaceArea | 84.15 |
| Druglikeness | -5.7899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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