N-[(E)-(3-phenylinden-1-ylidene)amino]aniline
Formula:C21H16N2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(3-phenylinden-1-ylidene)amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-(3-phenylinden-1-ylidene)amino]aniline |
| MolecularFormula | C21H16N2 |
| Smiles | C(/C(/c1c2cccc1)=N\Nc1ccccc1)=C2c1ccccc1 |
| InChI | InChI=1S/C21H16N2/c1-3-9-16(10-4-1)20-15-21(19-14-8-7-13-18(19)20)23-22-17-11-5-2-6-12-17/h1-15,22H |
| InChIK | JJFDNOAWFREGQC-UHFFFAOYSA-N |
| TotalMolweight | 296.372 |
| Molweight | 296.372 |
| MonoisotopicMass | 296.131348 |
| CLogP | 6.5059 |
| CLogS | -5.168 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.42 |
| Relative PSA | 0.096343 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.6089 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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