(E)-3-(3-nitrophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
Formula:C21H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-nitrophenyl)-N-(4-phenoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-nitrophenyl)-N-(4-phenoxyphenyl)prop-2-enamide |
| MolecularFormula | C21H16N2O4 |
| Smiles | [O-][N+](c1cc(/C=C/C(Nc(cc2)ccc2Oc2ccccc2)=O)ccc1)=O |
| InChI | InChI=1S/C21H16N2O4/c24-21(14-9-16-5-4-6-18(15-16)23(25)26)22-17-10-12-20(13-11-17)27-19-7-2-1-3-8-19/h1-15H,(H,22,24) |
| InChIK | LMXQMCQSHFJTQU-UHFFFAOYSA-N |
| TotalMolweight | 360.368 |
| Molweight | 360.368 |
| MonoisotopicMass | 360.111008 |
| CLogP | 3.6103 |
| CLogS | -6.255 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 282.16 |
| Relative PSA | 0.23008 |
| PolarSurfaceArea | 84.15 |
| Druglikeness | -5.5242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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