N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide
Formula:C14H13N3O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-hydroxybenzamide |
| MolecularFormula | C14H13N3O4 |
| Smiles | Oc(cccc1)c1C(NCC(N/N=C\c1ccco1)=O)=O |
| InChI | InChI=1S/C14H13N3O4/c18-12-6-2-1-5-11(12)14(20)15-9-13(19)17-16-8-10-4-3-7-21-10/h1-8,18H,9H2,(H,15,20)(H,17,19) |
| InChIK | XUQZACCKXYRNJR-UHFFFAOYSA-N |
| TotalMolweight | 287.274 |
| Molweight | 287.274 |
| MonoisotopicMass | 287.090607 |
| CLogP | 1.1283 |
| CLogS | -2.874 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 226 |
| Relative PSA | 0.38814 |
| PolarSurfaceArea | 103.93 |
| Druglikeness | 5.237 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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