[(Z)-1,3-benzodioxol-5-ylmethylideneamino] furan-2-carboxylate
Formula:C13H9NO5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-1,3-benzodioxol-5-ylmethylideneamino] furan-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-1,3-benzodioxol-5-ylmethylideneamino] furan-2-carboxylate |
| MolecularFormula | C13H9NO5 |
| Smiles | O=C(c1ccco1)O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C13H9NO5/c15-13(11-2-1-5-16-11)19-14-7-9-3-4-10-12(6-9)18-8-17-10/h1-7H,8H2 |
| InChIK | AZBWGJNKLGZKJI-UHFFFAOYSA-N |
| TotalMolweight | 259.216 |
| Molweight | 259.216 |
| MonoisotopicMass | 259.048074 |
| CLogP | 3.2182 |
| CLogS | -4.164 |
| H Acceptors | 6 |
| TotalSurfaceArea | 195.48 |
| Relative PSA | 0.35124 |
| PolarSurfaceArea | 70.26 |
| Druglikeness | -2.6148 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] furan-2-carboxylate | 2 - [(Z)-1,3-benzodioxol-5-ylmethylideneamino] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off