(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
Formula:C20H21N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C20H21N3O4 |
| Smiles | [O-][N+](c1cc(/C=C/C(Nc2ccc(CN3CCOCC3)cc2)=O)ccc1)=O |
| InChI | InChI=1S/C20H21N3O4/c24-20(9-6-16-2-1-3-19(14-16)23(25)26)21-18-7-4-17(5-8-18)15-22-10-12-27-13-11-22/h1-9,14H,10-13,15H2,(H,21,24) |
| InChIK | TZCXULOWEUMKTH-UHFFFAOYSA-N |
| TotalMolweight | 367.404 |
| Molweight | 367.404 |
| MonoisotopicMass | 367.153207 |
| CLogP | 0.8801 |
| CLogS | -3.539 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 288 |
| Relative PSA | 0.23774 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -3.8183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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