(2Z)-2-benzylidene-N-[(Z)-furan-2-ylmethylideneamino]-4-hydroxybutanamide
Formula:C16H16N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-N-[(Z)-furan-2-ylmethylideneamino]-4-hydroxybutanamide is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-N-[(Z)-furan-2-ylmethylideneamino]-4-hydroxybutanamide |
| MolecularFormula | C16H16N2O3 |
| Smiles | OCC/C(/C(N/N=C\c1ccco1)=O)=C/c1ccccc1 |
| InChI | InChI=1S/C16H16N2O3/c19-9-8-14(11-13-5-2-1-3-6-13)16(20)18-17-12-15-7-4-10-21-15/h1-7,10-12,19H,8-9H2,(H,18,20) |
| InChIK | RBOPTZZZGBZKQP-UHFFFAOYSA-N |
| TotalMolweight | 284.314 |
| Molweight | 284.314 |
| MonoisotopicMass | 284.116093 |
| CLogP | 2.8536 |
| CLogS | -3.66 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 235.26 |
| Relative PSA | 0.26872 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 3.3368 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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