3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide
Formula:C22H16N4O3I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide is not a drug-like molecule.
| MolName | 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide |
| MolecularFormula | C22H16N4O3I2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CCn2c(ccc(I)c3)c3c3c2ccc(I)c3)=O)cc1)=O |
| InChI | InChI=1S/C22H16I2N4O3/c23-15-3-7-20-18(11-15)19-12-16(24)4-8-21(19)27(20)10-9-22(29)26-25-13-14-1-5-17(6-2-14)28(30)31/h1-8,11-13H,9-10H2,(H,26,29) |
| InChIK | QBEAKXVUBXJNTH-UHFFFAOYSA-N |
| TotalMolweight | 638.194 |
| Molweight | 638.194 |
| MonoisotopicMass | 637.931187 |
| CLogP | 4.5923 |
| CLogS | -7.639 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 349.14 |
| Relative PSA | 0.20994 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | 1.346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide | 2 - 3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide
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