3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
Formula:C18H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide is a drug-like molecule.
| MolName | 3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide |
| MolecularFormula | C18H18N2O |
| Smiles | O=C(CCc1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H18N2O/c21-18(14-13-17-10-5-2-6-11-17)20-19-15-7-12-16-8-3-1-4-9-16/h1-12,15H,13-14H2,(H,20,21) |
| InChIK | JKDDVWPDNDUPIT-UHFFFAOYSA-N |
| TotalMolweight | 278.354 |
| Molweight | 278.354 |
| MonoisotopicMass | 278.141913 |
| CLogP | 3.6724 |
| CLogS | -4.248 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 241.01 |
| Relative PSA | 0.14941 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.2477 |
| 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 | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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