N-[(E)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline
Formula:C21H18N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[(3E)-3-(phenylhydrazinylidene)inden-1-ylidene]amino]aniline |
| MolecularFormula | C21H18N4 |
| Smiles | C(/C(/c1c2cccc1)=N\Nc1ccccc1)/C2=N\Nc1ccccc1 |
| InChI | InChI=1S/C21H18N4/c1-3-9-16(10-4-1)22-24-20-15-21(19-14-8-7-13-18(19)20)25-23-17-11-5-2-6-12-17/h1-14,22-23H,15H2 |
| InChIK | QSSNQDODUJUVDU-UHFFFAOYSA-N |
| TotalMolweight | 326.402 |
| Molweight | 326.402 |
| MonoisotopicMass | 326.153146 |
| CLogP | 7.8688 |
| CLogS | -5.218 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 261.9 |
| Relative PSA | 0.17541 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | 1.3648 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 14 |
| StereoCon |
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