2-iodo-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Formula:C19H16N3O3I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-iodo-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 2-iodo-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C19H16N3O3I |
| Smiles | C#CCOc1c(/C=N\NC(CNC(c(cccc2)c2I)=O)=O)cccc1 |
| InChI | InChI=1S/C19H16IN3O3/c1-2-11-26-17-10-6-3-7-14(17)12-22-23-18(24)13-21-19(25)15-8-4-5-9-16(15)20/h1,3-10,12H,11,13H2,(H,21,25)(H,23,24) |
| InChIK | FSVOFSXOIYPUEA-UHFFFAOYSA-N |
| TotalMolweight | 461.254 |
| Molweight | 461.254 |
| MonoisotopicMass | 461.02364 |
| CLogP | 2.6796 |
| CLogS | -5.146 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 303.81 |
| Relative PSA | 0.23209 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 5.4744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 2-iodo-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide | 2 - 2-iodo-N-[2-oxo-2-[(2Z)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
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