2-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
Formula:C17H16N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide is a drug-like molecule.
| MolName | 2-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide |
| MolecularFormula | C17H16N3O2ClS |
| Smiles | O=C(CSCC(N/N=C\c(cccc1)c1Cl)=O)Nc1ccccc1 |
| InChI | InChI=1S/C17H16ClN3O2S/c18-15-9-5-4-6-13(15)10-19-21-17(23)12-24-11-16(22)20-14-7-2-1-3-8-14/h1-10H,11-12H2,(H,20,22)(H,21,23) |
| InChIK | TXZXPHJRUJPZHF-UHFFFAOYSA-N |
| TotalMolweight | 361.852 |
| Molweight | 361.852 |
| MonoisotopicMass | 361.065174 |
| CLogP | 3.3961 |
| CLogS | -4.868 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.63 |
| Relative PSA | 0.28197 |
| PolarSurfaceArea | 95.86 |
| Druglikeness | 5.1472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide | 2 - 2-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
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