N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Formula:C18H15N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C18H15N3O6 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C18H15N3O6/c22-17(21-20-7-11-1-3-13-15(5-11)26-9-24-13)8-19-18(23)12-2-4-14-16(6-12)27-10-25-14/h1-7H,8-10H2,(H,19,23)(H,21,22) |
| InChIK | CGHOBQGIRJJITF-UHFFFAOYSA-N |
| TotalMolweight | 369.332 |
| Molweight | 369.332 |
| MonoisotopicMass | 369.096087 |
| CLogP | 2.5081 |
| CLogS | -4.91 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 270.48 |
| Relative PSA | 0.3716 |
| PolarSurfaceArea | 107.48 |
| Druglikeness | 5.1939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off