(E)-3-(3-nitrophenyl)-N-(4-phenylmethoxyphenyl)prop-2-enamide
Formula:C22H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-nitrophenyl)-N-(4-phenylmethoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-nitrophenyl)-N-(4-phenylmethoxyphenyl)prop-2-enamide |
| MolecularFormula | C22H18N2O4 |
| Smiles | [O-][N+](c1cc(/C=C/C(Nc(cc2)ccc2OCc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C22H18N2O4/c25-22(14-9-17-7-4-8-20(15-17)24(26)27)23-19-10-12-21(13-11-19)28-16-18-5-2-1-3-6-18/h1-15H,16H2,(H,23,25) |
| InChIK | ZAWTUHFCKYTEKN-UHFFFAOYSA-N |
| TotalMolweight | 374.395 |
| Molweight | 374.395 |
| MonoisotopicMass | 374.126658 |
| CLogP | 3.5628 |
| CLogS | -5.299 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.92 |
| Relative PSA | 0.21938 |
| PolarSurfaceArea | 84.15 |
| Druglikeness | -5.6795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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