N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]aniline
Formula:C22H18N3I
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]aniline |
| MolecularFormula | C22H18N3I |
| Smiles | Ic1ccc(Cn2c(cccc3)c3c(/C=N\Nc3ccccc3)c2)cc1 |
| InChI | InChI=1S/C22H18IN3/c23-19-12-10-17(11-13-19)15-26-16-18(21-8-4-5-9-22(21)26)14-24-25-20-6-2-1-3-7-20/h1-14,16,25H,15H2 |
| InChIK | BLAPKLFPQXNAKP-UHFFFAOYSA-N |
| TotalMolweight | 451.306 |
| Molweight | 451.306 |
| MonoisotopicMass | 451.054545 |
| CLogP | 6.8077 |
| CLogS | -5.143 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 292.84 |
| Relative PSA | 0.1019 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | 4.8299 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]aniline | 2 - N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off