N-benzyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline
Formula:C22H20N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]aniline |
| MolecularFormula | C22H20N2 |
| Smiles | C(c1ccccc1)N(c1ccccc1)/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C22H20N2/c1-4-11-20(12-5-1)15-10-18-23-24(22-16-8-3-9-17-22)19-21-13-6-2-7-14-21/h1-18H,19H2 |
| InChIK | OHYTVNQRPCPPCG-UHFFFAOYSA-N |
| TotalMolweight | 312.415 |
| Molweight | 312.415 |
| MonoisotopicMass | 312.162648 |
| CLogP | 4.9901 |
| CLogS | -4.594 |
| H Acceptors | 2 |
| TotalSurfaceArea | 268.1 |
| Relative PSA | 0.056173 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | 3.925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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