N-benzyl-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
Formula:C29H24N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline |
| MolecularFormula | C29H24N4 |
| Smiles | C(c1ccccc1)N(c1ccccc1)/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C29H24N4/c1-5-13-24(14-6-1)22-32(27-17-9-3-10-18-27)30-21-26-23-33(28-19-11-4-12-20-28)31-29(26)25-15-7-2-8-16-25/h1-21,23H,22H2 |
| InChIK | GYELSMDNSUNNTG-UHFFFAOYSA-N |
| TotalMolweight | 428.538 |
| Molweight | 428.538 |
| MonoisotopicMass | 428.200096 |
| CLogP | 5.8908 |
| CLogS | -5.815 |
| H Acceptors | 4 |
| TotalSurfaceArea | 349.08 |
| Relative PSA | 0.094248 |
| PolarSurfaceArea | 33.42 |
| Druglikeness | 4.4321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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