3-morpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
Formula:C16H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-morpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide is a drug-like molecule.
| MolName | 3-morpholin-4-yl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide |
| MolecularFormula | C16H21N3O2 |
| Smiles | O=C(CCN1CCOCC1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H21N3O2/c20-16(8-10-19-11-13-21-14-12-19)18-17-9-4-7-15-5-2-1-3-6-15/h1-7,9H,8,10-14H2,(H,18,20) |
| InChIK | JTBNWJCUXUQJCT-UHFFFAOYSA-N |
| TotalMolweight | 287.362 |
| Molweight | 287.362 |
| MonoisotopicMass | 287.163377 |
| CLogP | 1.493 |
| CLogS | -2.303 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 243.09 |
| Relative PSA | 0.20388 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 5.7511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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