N-[(Z)-(1-benzylindol-3-yl)methylideneamino]aniline
Formula:C22H19N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]aniline |
| MolecularFormula | C22H19N3 |
| Smiles | C(c1ccccc1)n1c(cccc2)c2c(/C=N\Nc2ccccc2)c1 |
| InChI | InChI=1S/C22H19N3/c1-3-9-18(10-4-1)16-25-17-19(21-13-7-8-14-22(21)25)15-23-24-20-11-5-2-6-12-20/h1-15,17,24H,16H2 |
| InChIK | LIFAGXWKNDHBKS-UHFFFAOYSA-N |
| TotalMolweight | 325.414 |
| Molweight | 325.414 |
| MonoisotopicMass | 325.157897 |
| CLogP | 6.3706 |
| CLogS | -4.127 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.56 |
| Relative PSA | 0.11194 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | 4.3997 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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