N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline
Formula:C24H18N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline |
| MolecularFormula | C24H18N4O |
| Smiles | C(c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C24H18N4O/c1-3-10-20(11-4-1)26-25-16-19-17-28(21-12-5-2-6-13-21)27-24(19)23-15-18-9-7-8-14-22(18)29-23/h1-17,26H |
| InChIK | QRWJLXIBYFZRPI-UHFFFAOYSA-N |
| TotalMolweight | 378.434 |
| Molweight | 378.434 |
| MonoisotopicMass | 378.148061 |
| CLogP | 6.3025 |
| CLogS | -5.513 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.01 |
| Relative PSA | 0.18245 |
| PolarSurfaceArea | 55.35 |
| Druglikeness | 3.8475 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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