(4E)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
Formula:C16H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid is a drug-like molecule.
| MolName | (4E)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid |
| MolecularFormula | C16H14N2O4 |
| Smiles | OC(c1cc(/C(/CCC2)=N/NC(c3ccccc3)=O)c2o1)=O |
| InChI | InChI=1S/C16H14N2O4/c19-15(10-5-2-1-3-6-10)18-17-12-7-4-8-13-11(12)9-14(22-13)16(20)21/h1-3,5-6,9H,4,7-8H2,(H,18,19)(H,20,21) |
| InChIK | ZVIDIORZAXPNMW-UHFFFAOYSA-N |
| TotalMolweight | 298.297 |
| Molweight | 298.297 |
| MonoisotopicMass | 298.095358 |
| CLogP | 2.6021 |
| CLogS | -4.389 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 226.77 |
| Relative PSA | 0.33629 |
| PolarSurfaceArea | 91.9 |
| Druglikeness | 0.41475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid | 2 - (4E)-4-(benzoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off