N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Formula:C14H13N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C14H13N3O3 |
| Smiles | O=C(CNC(c1ccccc1)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C14H13N3O3/c18-13(17-16-9-12-7-4-8-20-12)10-15-14(19)11-5-2-1-3-6-11/h1-9H,10H2,(H,15,19)(H,17,18) |
| InChIK | RZMKQWXRAXWHPP-UHFFFAOYSA-N |
| TotalMolweight | 271.275 |
| Molweight | 271.275 |
| MonoisotopicMass | 271.095692 |
| CLogP | 1.474 |
| CLogS | -3.17 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 219.65 |
| Relative PSA | 0.33972 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 5.2184 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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