N,N-bis(prop-2-enyl)-4-[(E)-2-quinolin-4-ylethenyl]aniline
Formula:C23H22N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N,N-bis(prop-2-enyl)-4-[(E)-2-quinolin-4-ylethenyl]aniline is not a drug-like molecule.
| MolName | N,N-bis(prop-2-enyl)-4-[(E)-2-quinolin-4-ylethenyl]aniline |
| MolecularFormula | C23H22N2 |
| Smiles | C=CCN(CC=C)c1ccc(/C=C/c2ccnc3ccccc23)cc1 |
| InChI | InChI=1S/C23H22N2/c1-3-17-25(18-4-2)21-13-10-19(11-14-21)9-12-20-15-16-24-23-8-6-5-7-22(20)23/h3-16H,1-2,17-18H2 |
| InChIK | HTEBVNDPDZKFIX-UHFFFAOYSA-N |
| TotalMolweight | 326.442 |
| Molweight | 326.442 |
| MonoisotopicMass | 326.178298 |
| CLogP | 5.4294 |
| CLogS | -5.512 |
| H Acceptors | 2 |
| TotalSurfaceArea | 279.78 |
| Relative PSA | 0.051898 |
| PolarSurfaceArea | 16.13 |
| Druglikeness | -0.51187 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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