N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-phenylaniline
Formula:C20H16N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-phenylaniline |
| MolecularFormula | C20H16N2O2 |
| Smiles | C1Oc(cc(/C=N\N(c2ccccc2)c2ccccc2)cc2)c2O1 |
| InChI | InChI=1S/C20H16N2O2/c1-3-7-17(8-4-1)22(18-9-5-2-6-10-18)21-14-16-11-12-19-20(13-16)24-15-23-19/h1-14H,15H2 |
| InChIK | AAYWZUWKFAOYGC-UHFFFAOYSA-N |
| TotalMolweight | 316.359 |
| Molweight | 316.359 |
| MonoisotopicMass | 316.121178 |
| CLogP | 5.3402 |
| CLogS | -6.437 |
| H Acceptors | 4 |
| TotalSurfaceArea | 248.1 |
| Relative PSA | 0.14131 |
| PolarSurfaceArea | 34.06 |
| Druglikeness | 2.8725 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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