4-chloro-N-[2-[(2Z)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Formula:C14H12N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[2-[(2Z)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[2-[(2Z)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C14H12N3O3Cl |
| Smiles | O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1cocc1 |
| InChI | InChI=1S/C14H12ClN3O3/c15-12-3-1-11(2-4-12)14(20)16-8-13(19)18-17-7-10-5-6-21-9-10/h1-7,9H,8H2,(H,16,20)(H,18,19) |
| InChIK | ROSHHLCERWKWSD-UHFFFAOYSA-N |
| TotalMolweight | 305.72 |
| Molweight | 305.72 |
| MonoisotopicMass | 305.056719 |
| CLogP | 2.026 |
| CLogS | -3.882 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.31744 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 5.232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| 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 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-chloro-N-[2-[(2Z)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide | 2 - 4-chloro-N-[2-[(2Z)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
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