(E,Z)-2-bromo-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
Formula:C19H20N3Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E,Z)-2-bromo-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (E,Z)-2-bromo-3-phenyl-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine |
| MolecularFormula | C19H20N3Br |
| Smiles | Br/C(/C=N/N(CC1)CCN1c1ccccc1)=C\c1ccccc1 |
| InChI | InChI=1S/C19H20BrN3/c20-18(15-17-7-3-1-4-8-17)16-21-23-13-11-22(12-14-23)19-9-5-2-6-10-19/h1-10,15-16H,11-14H2 |
| InChIK | JASQRDIPLVCSQS-UHFFFAOYSA-N |
| TotalMolweight | 370.293 |
| Molweight | 370.293 |
| MonoisotopicMass | 369.084058 |
| CLogP | 3.707 |
| CLogS | -4.303 |
| H Acceptors | 3 |
| TotalSurfaceArea | 263.26 |
| Relative PSA | 0.070691 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 1.3439 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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