N-[(Z)-1,3-benzodioxol-4-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
Formula:C19H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-4-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-4-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide |
| MolecularFormula | C19H17N3O3 |
| Smiles | O=C(CCc1c[nH]c2c1cccc2)N/N=C\c1c2OCOc2ccc1 |
| InChI | InChI=1S/C19H17N3O3/c23-18(9-8-13-10-20-16-6-2-1-5-15(13)16)22-21-11-14-4-3-7-17-19(14)25-12-24-17/h1-7,10-11,20H,8-9,12H2,(H,22,23) |
| InChIK | LNOLATLIDCQIJV-UHFFFAOYSA-N |
| TotalMolweight | 335.362 |
| Molweight | 335.362 |
| MonoisotopicMass | 335.126992 |
| CLogP | 3.8049 |
| CLogS | -5.192 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.94 |
| Relative PSA | 0.27033 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 3.6983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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