(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
Formula:C19H17N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C19H17N3O4Cl2 |
| Smiles | [O-][N+](c(cc(/C=C/C(Nc(cc(cc1)Cl)c1N1CCOCC1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C19H17Cl2N3O4/c20-14-3-5-17(23-7-9-28-10-8-23)16(12-14)22-19(25)6-2-13-1-4-15(21)18(11-13)24(26)27/h1-6,11-12H,7-10H2,(H,22,25) |
| InChIK | BOYADUGUXOTEGU-UHFFFAOYSA-N |
| TotalMolweight | 422.267 |
| Molweight | 422.267 |
| MonoisotopicMass | 421.059611 |
| CLogP | 3.0957 |
| CLogS | -5.533 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 305.08 |
| Relative PSA | 0.22443 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -4 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide | 2 - (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide
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