N-benzyl-N-[(Z)-3-cyclohexylpropylideneamino]aniline
Formula:C22H28N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-3-cyclohexylpropylideneamino]aniline is not a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-3-cyclohexylpropylideneamino]aniline |
| MolecularFormula | C22H28N2 |
| Smiles | C(C/C=N\N(Cc1ccccc1)c1ccccc1)C1CCCCC1 |
| InChI | InChI=1S/C22H28N2/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/h2-3,6-9,13-14,16-18,20H,1,4-5,10-12,15,19H2 |
| InChIK | DKFKMCICVVYNHM-UHFFFAOYSA-N |
| TotalMolweight | 320.478 |
| Molweight | 320.478 |
| MonoisotopicMass | 320.225248 |
| CLogP | 5.47 |
| CLogS | -4.92 |
| H Acceptors | 2 |
| TotalSurfaceArea | 277.16 |
| Relative PSA | 0.054337 |
| PolarSurfaceArea | 15.6 |
| Druglikeness | -0.98852 |
| 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 | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| StereoCon |
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