4-[4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde
Formula:C20H19N3O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
4-[4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde is a drug-like molecule.
| MolName | 4-[4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde |
| MolecularFormula | C20H19N3O2 |
| Smiles | O=CN(CC1)CCN1c1ccc(/C=C(/c(cccc2)c2N2)\C2=O)cc1 |
| InChI | InChI=1S/C20H19N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,13-14H,9-12H2,(H,21,25) |
| InChIK | ZNFJBJDODKHWED-UHFFFAOYSA-N |
| TotalMolweight | 333.39 |
| Molweight | 333.39 |
| MonoisotopicMass | 333.147727 |
| CLogP | 1.73 |
| CLogS | -3.425 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.12 |
| Relative PSA | 0.17498 |
| PolarSurfaceArea | 52.65 |
| Druglikeness | 5.8953 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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