N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Formula:C14H12N3O3I
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide |
| MolecularFormula | C14H12N3O3I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C14H12IN3O3/c15-12-6-2-1-5-11(12)14(20)16-9-13(19)18-17-8-10-4-3-7-21-10/h1-8H,9H2,(H,16,20)(H,18,19) |
| InChIK | SFAXRLABDWQNKV-UHFFFAOYSA-N |
| TotalMolweight | 397.167 |
| Molweight | 397.167 |
| MonoisotopicMass | 396.99234 |
| CLogP | 1.9111 |
| CLogS | -4.186 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.93 |
| Relative PSA | 0.30342 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 5.6314 |
| 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 | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide | 2 - N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide
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