3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]propanamide
Formula:C22H16N3OFI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-fluorophenyl)methylideneamino]propanamide |
| MolecularFormula | C22H16N3OFI2 |
| Smiles | O=C(CCn1c(ccc(I)c2)c2c2c1ccc(I)c2)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C22H16FI2N3O/c23-15-3-1-14(2-4-15)13-26-27-22(29)9-10-28-20-7-5-16(24)11-18(20)19-12-17(25)6-8-21(19)28/h1-8,11-13H,9-10H2,(H,27,29) |
| InChIK | ZXHTZBJXXBJQAC-UHFFFAOYSA-N |
| TotalMolweight | 611.187 |
| Molweight | 611.187 |
| MonoisotopicMass | 610.936686 |
| CLogP | 5.6147 |
| CLogS | -7.493 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 331.82 |
| Relative PSA | 0.12923 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.1356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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 | 1 |
| StereoCon |
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