N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-carbazol-9-ylacetamide
Formula:C22H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-carbazol-9-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-carbazol-9-ylacetamide |
| MolecularFormula | C22H17N3O3 |
| Smiles | O=C(Cn1c(cccc2)c2c2c1cccc2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C22H17N3O3/c26-22(24-23-12-15-9-10-20-21(11-15)28-14-27-20)13-25-18-7-3-1-5-16(18)17-6-2-4-8-19(17)25/h1-12H,13-14H2,(H,24,26) |
| InChIK | ZOKZEIAWGJUOSI-UHFFFAOYSA-N |
| TotalMolweight | 371.395 |
| Molweight | 371.395 |
| MonoisotopicMass | 371.126992 |
| CLogP | 4.2967 |
| CLogS | -5.588 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.41 |
| Relative PSA | 0.22505 |
| PolarSurfaceArea | 64.85 |
| Druglikeness | 5.8422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-carbazol-9-ylacetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-carbazol-9-ylacetamide
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