N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C28H22N3OI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C28H22N3OI |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c1cn(Cc(cc2)ccc2I)c2c1cccc2 |
| InChI | InChI=1S/C28H22IN3O/c29-24-14-12-20(13-15-24)18-32-19-23(26-10-3-4-11-27(26)32)17-30-31-28(33)16-22-8-5-7-21-6-1-2-9-25(21)22/h1-15,17,19H,16,18H2,(H,31,33) |
| InChIK | OAXAIOAMOHEUBO-UHFFFAOYSA-N |
| TotalMolweight | 543.403 |
| Molweight | 543.403 |
| MonoisotopicMass | 543.08076 |
| CLogP | 6.3609 |
| CLogS | -7.286 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 358.95 |
| Relative PSA | 0.11946 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 6.4695 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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