N-[(Z)-benzylideneamino]-3-(3-iodocarbazol-9-yl)propanamide
Formula:C22H18N3OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-(3-iodocarbazol-9-yl)propanamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(3-iodocarbazol-9-yl)propanamide |
| MolecularFormula | C22H18N3OI |
| Smiles | O=C(CCn1c(ccc(I)c2)c2c2c1cccc2)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H18IN3O/c23-17-10-11-21-19(14-17)18-8-4-5-9-20(18)26(21)13-12-22(27)25-24-15-16-6-2-1-3-7-16/h1-11,14-15H,12-13H2,(H,25,27) |
| InChIK | RLOTZVKPXPZMJD-UHFFFAOYSA-N |
| TotalMolweight | 467.305 |
| Molweight | 467.305 |
| MonoisotopicMass | 467.04946 |
| CLogP | 5.0768 |
| CLogS | -6.163 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 299.19 |
| Relative PSA | 0.14332 |
| 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 | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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