N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
Formula:C17H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(pyridin-3-ylmethyl)propanediamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-(pyridin-3-ylmethyl)propanediamide |
| MolecularFormula | C17H16N4O4 |
| Smiles | O=C(CC(N/N=C\c(cc1)cc2c1OCO2)=O)NCc1cnccc1 |
| InChI | InChI=1S/C17H16N4O4/c22-16(19-9-13-2-1-5-18-8-13)7-17(23)21-20-10-12-3-4-14-15(6-12)25-11-24-14/h1-6,8,10H,7,9,11H2,(H,19,22)(H,21,23) |
| InChIK | VKGHZNPLKXSSOK-UHFFFAOYSA-N |
| TotalMolweight | 340.338 |
| Molweight | 340.338 |
| MonoisotopicMass | 340.117156 |
| CLogP | 1.4182 |
| CLogS | -3.527 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 262.74 |
| Relative PSA | 0.34818 |
| PolarSurfaceArea | 101.91 |
| Druglikeness | 2.265 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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