N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline
Formula:C22H20N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline |
| MolecularFormula | C22H20N4 |
| Smiles | C(C1)C(c2ccccc2)=NN1c1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C22H20N4/c1-3-7-19(8-4-1)22-15-16-26(25-22)21-13-11-18(12-14-21)17-23-24-20-9-5-2-6-10-20/h1-14,17,24H,15-16H2 |
| InChIK | FIAYCSVNVQWWRY-UHFFFAOYSA-N |
| TotalMolweight | 340.429 |
| Molweight | 340.429 |
| MonoisotopicMass | 340.168796 |
| CLogP | 6.7871 |
| CLogS | -4.988 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.29 |
| Relative PSA | 0.13765 |
| PolarSurfaceArea | 39.99 |
| Druglikeness | 4.7225 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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