N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1H-indol-3-yl)acetamide
Formula:C18H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1H-indol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1H-indol-3-yl)acetamide |
| MolecularFormula | C18H15N3O3 |
| Smiles | O=C(Cc1c[nH]c2c1cccc2)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H15N3O3/c22-18(8-13-10-19-15-4-2-1-3-14(13)15)21-20-9-12-5-6-16-17(7-12)24-11-23-16/h1-7,9-10,19H,8,11H2,(H,21,22) |
| InChIK | WALWJWAAPCIREK-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 3.3505 |
| CLogS | -4.922 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.18 |
| Relative PSA | 0.2855 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 4.8316 |
| 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 | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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