N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
Formula:C24H20N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline |
| MolecularFormula | C24H20N4O2 |
| Smiles | C1Oc(ccc(-c(c(/C=N\Nc2ccccc2)c2)nn2-c2ccccc2)c2)c2OC1 |
| InChI | InChI=1S/C24H20N4O2/c1-3-7-20(8-4-1)26-25-16-19-17-28(21-9-5-2-6-10-21)27-24(19)18-11-12-22-23(15-18)30-14-13-29-22/h1-12,15-17,26H,13-14H2 |
| InChIK | LYZVTZAYCIZXAQ-UHFFFAOYSA-N |
| TotalMolweight | 396.449 |
| Molweight | 396.449 |
| MonoisotopicMass | 396.158626 |
| CLogP | 5.7387 |
| CLogS | -4.844 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 310.74 |
| Relative PSA | 0.19569 |
| PolarSurfaceArea | 60.67 |
| Druglikeness | -3.3594 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline | 2 - N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
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