N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-N-phenylaniline
Formula:C21H17N2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-N-phenylaniline |
| MolecularFormula | C21H17N2Br |
| Smiles | Br/C(/C=N\N(c1ccccc1)c1ccccc1)=C\c1ccccc1 |
| InChI | InChI=1S/C21H17BrN2/c22-19(16-18-10-4-1-5-11-18)17-23-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17H |
| InChIK | ACRGHOUKDZLELR-UHFFFAOYSA-N |
| TotalMolweight | 377.284 |
| Molweight | 377.284 |
| MonoisotopicMass | 376.057509 |
| CLogP | 5.8397 |
| CLogS | -6.851 |
| H Acceptors | 2 |
| TotalSurfaceArea | 271.18 |
| Relative PSA | 0.055535 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -1.8775 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 10 |
| StereoCon |
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