N-[(Z)-benzylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
Formula:C22H17N3OI2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide |
| MolecularFormula | C22H17N3OI2 |
| Smiles | O=C(CCn1c(ccc(I)c2)c2c2c1ccc(I)c2)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H17I2N3O/c23-16-6-8-20-18(12-16)19-13-17(24)7-9-21(19)27(20)11-10-22(28)26-25-14-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,26,28) |
| InChIK | IWWCPKMTDVNYMS-UHFFFAOYSA-N |
| TotalMolweight | 593.197 |
| Molweight | 593.197 |
| MonoisotopicMass | 592.946108 |
| CLogP | 5.5139 |
| CLogS | -7.179 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 325.47 |
| Relative PSA | 0.13175 |
| PolarSurfaceArea | 46.39 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| 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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