N'-[2-[(Z)-benzylideneamino]oxyacetyl]furan-2-carbohydrazide
Formula:C14H13N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[2-[(Z)-benzylideneamino]oxyacetyl]furan-2-carbohydrazide is a drug-like molecule.
| MolName | N'-[2-[(Z)-benzylideneamino]oxyacetyl]furan-2-carbohydrazide |
| MolecularFormula | C14H13N3O4 |
| Smiles | O=C(CO/N=C\c1ccccc1)NNC(c1ccco1)=O |
| InChI | InChI=1S/C14H13N3O4/c18-13(16-17-14(19)12-7-4-8-20-12)10-21-15-9-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,18)(H,17,19) |
| InChIK | VJTYPRDSQKEUPR-UHFFFAOYSA-N |
| TotalMolweight | 287.274 |
| Molweight | 287.274 |
| MonoisotopicMass | 287.090607 |
| CLogP | 1.2092 |
| CLogS | -3.457 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 229.65 |
| Relative PSA | 0.36847 |
| PolarSurfaceArea | 92.93 |
| Druglikeness | 3.2599 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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