2-chloro-N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
Formula:C18H20N3O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide |
| MolecularFormula | C18H20N3O3Cl |
| Smiles | O=C(CCCCCNC(c(cccc1)c1Cl)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C18H20ClN3O3/c19-16-9-4-3-8-15(16)18(24)20-11-5-1-2-10-17(23)22-21-13-14-7-6-12-25-14/h3-4,6-9,12-13H,1-2,5,10-11H2,(H,20,24)(H,22,23) |
| InChIK | DAKRWPZDECCFGN-UHFFFAOYSA-N |
| TotalMolweight | 361.828 |
| Molweight | 361.828 |
| MonoisotopicMass | 361.119319 |
| CLogP | 3.8976 |
| CLogS | -4.986 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 290.11 |
| Relative PSA | 0.25721 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | -4.3739 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - 2-chloro-N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide | 2 - 2-chloro-N-[6-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
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