(E,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
Formula:C17H19N3O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (E,E)-3-(furan-2-yl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine |
| MolecularFormula | C17H19N3O |
| Smiles | C(CN(CC1)/N=C/C=C/c2ccco2)N1c1ccccc1 |
| InChI | InChI=1S/C17H19N3O/c1-2-6-16(7-3-1)19-11-13-20(14-12-19)18-10-4-8-17-9-5-15-21-17/h1-10,15H,11-14H2 |
| InChIK | NYKODBGEQLQNLF-UHFFFAOYSA-N |
| TotalMolweight | 281.358 |
| Molweight | 281.358 |
| MonoisotopicMass | 281.152812 |
| CLogP | 2.3031 |
| CLogS | -3.152 |
| H Acceptors | 4 |
| TotalSurfaceArea | 236.11 |
| Relative PSA | 0.13858 |
| PolarSurfaceArea | 31.98 |
| Druglikeness | 5.7946 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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