N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
Formula:C22H15N3OCl2I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide |
| MolecularFormula | C22H15N3OCl2I2 |
| Smiles | O=C(CCn1c(ccc(I)c2)c2c2c1ccc(I)c2)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C22H15Cl2I2N3O/c23-18-2-1-3-19(24)17(18)12-27-28-22(30)8-9-29-20-6-4-13(25)10-15(20)16-11-14(26)5-7-21(16)29/h1-7,10-12H,8-9H2,(H,28,30) |
| InChIK | IGVWRZLLOKJJAU-UHFFFAOYSA-N |
| TotalMolweight | 662.087 |
| Molweight | 662.087 |
| MonoisotopicMass | 660.868162 |
| CLogP | 6.7259 |
| CLogS | -8.651 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 356.31 |
| Relative PSA | 0.12034 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 6.489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
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