3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
Formula:C21H16N4OI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide |
| MolecularFormula | C21H16N4OI2 |
| Smiles | O=C(CCn1c(ccc(I)c2)c2c2c1ccc(I)c2)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C21H16I2N4O/c22-15-1-3-19-17(11-15)18-12-16(23)2-4-20(18)27(19)10-7-21(28)26-25-13-14-5-8-24-9-6-14/h1-6,8-9,11-13H,7,10H2,(H,26,28) |
| InChIK | LXWKOXSRUJKBHH-UHFFFAOYSA-N |
| TotalMolweight | 594.185 |
| Molweight | 594.185 |
| MonoisotopicMass | 593.941357 |
| CLogP | 4.513 |
| CLogS | -6.384 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.23 |
| Relative PSA | 0.16609 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.4756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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