(Z,Z)-2-bromo-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
Formula:C20H21N3BrCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(Z,Z)-2-bromo-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,Z)-2-bromo-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine |
| MolecularFormula | C20H21N3BrCl |
| Smiles | Clc1ccc(CN(CC2)CCN2/N=C\C(\Br)=C\c2ccccc2)cc1 |
| InChI | InChI=1S/C20H21BrClN3/c21-19(14-17-4-2-1-3-5-17)15-23-25-12-10-24(11-13-25)16-18-6-8-20(22)9-7-18/h1-9,14-15H,10-13,16H2 |
| InChIK | DUCTZLXAMMEEFV-UHFFFAOYSA-N |
| TotalMolweight | 418.765 |
| Molweight | 418.765 |
| MonoisotopicMass | 417.060735 |
| CLogP | 4.2359 |
| CLogS | -4.517 |
| H Acceptors | 3 |
| TotalSurfaceArea | 292.44 |
| Relative PSA | 0.063637 |
| PolarSurfaceArea | 18.84 |
| Druglikeness | 1.7703 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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