N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C17H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C17H15N3O4 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H15N3O4/c21-16(20-19-9-12-4-2-1-3-5-12)10-18-17(22)13-6-7-14-15(8-13)24-11-23-14/h1-9H,10-11H2,(H,18,22)(H,20,21) |
| InChIK | DNXBPXUXHNTRTF-UHFFFAOYSA-N |
| TotalMolweight | 325.323 |
| Molweight | 325.323 |
| MonoisotopicMass | 325.106257 |
| CLogP | 2.3967 |
| CLogS | -4.199 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 250.22 |
| Relative PSA | 0.32176 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 5.1939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
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