(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
Formula:C15H14N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid is a drug-like molecule.
| MolName | (4Z)-4-(phenylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid |
| MolecularFormula | C15H14N2O3 |
| Smiles | OC(c1coc(CCC2)c1/C2=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C15H14N2O3/c18-15(19)11-9-20-13-8-4-7-12(14(11)13)17-16-10-5-2-1-3-6-10/h1-3,5-6,9,16H,4,7-8H2,(H,18,19) |
| InChIK | LDWAWONBNMLHOA-UHFFFAOYSA-N |
| TotalMolweight | 270.287 |
| Molweight | 270.287 |
| MonoisotopicMass | 270.100443 |
| CLogP | 4.1874 |
| CLogS | -3.793 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 209.02 |
| Relative PSA | 0.30246 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | -0.55998 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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