3-(4-hydroxyphenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
Formula:C18H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-hydroxyphenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide is a drug-like molecule.
| MolName | 3-(4-hydroxyphenyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide |
| MolecularFormula | C18H18N2O2 |
| Smiles | Oc1ccc(CCC(N/N=C\C=C\c2ccccc2)=O)cc1 |
| InChI | InChI=1S/C18H18N2O2/c21-17-11-8-16(9-12-17)10-13-18(22)20-19-14-4-7-15-5-2-1-3-6-15/h1-9,11-12,14,21H,10,13H2,(H,20,22) |
| InChIK | CAQCFXQEXNLNCP-UHFFFAOYSA-N |
| TotalMolweight | 294.353 |
| Molweight | 294.353 |
| MonoisotopicMass | 294.136828 |
| CLogP | 3.3267 |
| CLogS | -3.952 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 247.36 |
| Relative PSA | 0.19854 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 3.2391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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