2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
Formula:C19H18N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide is not a drug-like molecule.
| MolName | 2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide |
| MolecularFormula | C19H18N3O2ClS |
| Smiles | N#Cc1c(NC(CO/N=C\c(cccc2)c2Cl)=O)sc2c1CCCCC2 |
| InChI | InChI=1S/C19H18ClN3O2S/c20-16-8-5-4-6-13(16)11-22-25-12-18(24)23-19-15(10-21)14-7-2-1-3-9-17(14)26-19/h4-6,8,11H,1-3,7,9,12H2,(H,23,24) |
| InChIK | UNOGRAQTYLILIJ-UHFFFAOYSA-N |
| TotalMolweight | 387.89 |
| Molweight | 387.89 |
| MonoisotopicMass | 387.080824 |
| CLogP | 5.2066 |
| CLogS | -6.624 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.12 |
| Relative PSA | 0.26722 |
| PolarSurfaceArea | 102.72 |
| Druglikeness | -5.2558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide | 2 - 2-[(Z)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
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