(E)-N-(3-morpholin-4-ylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Formula:C14H19N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(3-morpholin-4-ylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-morpholin-4-ylpropyl)-3-(5-nitrofuran-2-yl)prop-2-enamide |
| MolecularFormula | C14H19N3O5 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NCCCN2CCOCC2)=O)o1)=O |
| InChI | InChI=1S/C14H19N3O5/c18-13(4-2-12-3-5-14(22-12)17(19)20)15-6-1-7-16-8-10-21-11-9-16/h2-5H,1,6-11H2,(H,15,18) |
| InChIK | IBIHIXMPXPIEPE-UHFFFAOYSA-N |
| TotalMolweight | 309.321 |
| Molweight | 309.321 |
| MonoisotopicMass | 309.132472 |
| CLogP | -0.7572 |
| CLogS | -2.418 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 245.45 |
| Relative PSA | 0.33644 |
| PolarSurfaceArea | 100.53 |
| Druglikeness | -1.2347 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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