N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide
Formula:C18H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C18H15N3O3 |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C18H15N3O3/c22-18(14-11-19-15-4-2-1-3-13(14)15)21-20-10-12-5-6-16-17(9-12)24-8-7-23-16/h1-6,9-11,19H,7-8H2,(H,21,22) |
| InChIK | UAVNXDZOBLUSDM-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 3.2198 |
| CLogS | -4.428 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.18 |
| Relative PSA | 0.2855 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | -1.7726 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide
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