(2E,4E)-2-cyano-N-(3-morpholin-4-ylpropyl)-5-phenylpenta-2,4-dienamide
Formula:C19H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,4E)-2-cyano-N-(3-morpholin-4-ylpropyl)-5-phenylpenta-2,4-dienamide is a drug-like molecule.
| MolName | (2E,4E)-2-cyano-N-(3-morpholin-4-ylpropyl)-5-phenylpenta-2,4-dienamide |
| MolecularFormula | C19H23N3O2 |
| Smiles | N#C/C(/C(NCCCN1CCOCC1)=O)=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H23N3O2/c20-16-18(9-4-8-17-6-2-1-3-7-17)19(23)21-10-5-11-22-12-14-24-15-13-22/h1-4,6-9H,5,10-15H2,(H,21,23) |
| InChIK | KTYMFTBLHJSWOS-UHFFFAOYSA-N |
| TotalMolweight | 325.411 |
| Molweight | 325.411 |
| MonoisotopicMass | 325.179027 |
| CLogP | 2.0594 |
| CLogS | -2.335 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 278.51 |
| Relative PSA | 0.18531 |
| PolarSurfaceArea | 65.36 |
| Druglikeness | 0.39536 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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