N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide
Formula:C22H16N3OI
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C22H16N3OI |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c1cccn1-c(cc1)ccc1I |
| InChI | InChI=1S/C22H16IN3O/c23-17-10-12-18(13-11-17)26-14-4-7-19(26)15-24-25-22(27)21-9-3-6-16-5-1-2-8-20(16)21/h1-15H,(H,25,27) |
| InChIK | OJTBXQWUSLJYCE-UHFFFAOYSA-N |
| TotalMolweight | 465.289 |
| Molweight | 465.289 |
| MonoisotopicMass | 465.03381 |
| CLogP | 5.072 |
| CLogS | -8.68 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 296.83 |
| Relative PSA | 0.14446 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.8728 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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