2-[(E)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Formula:C18H16N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is a drug-like molecule.
| MolName | 2-[(E)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| MolecularFormula | C18H16N3O2ClS |
| Smiles | N#Cc1c(NC(CO/N=C/c(cccc2)c2Cl)=O)sc2c1CCCC2 |
| InChI | InChI=1S/C18H16ClN3O2S/c19-15-7-3-1-5-12(15)10-21-24-11-17(23)22-18-14(9-20)13-6-2-4-8-16(13)25-18/h1,3,5,7,10H,2,4,6,8,11H2,(H,22,23) |
| InChIK | ZNSSYKHZMBGPPW-UHFFFAOYSA-N |
| TotalMolweight | 373.863 |
| Molweight | 373.863 |
| MonoisotopicMass | 373.065174 |
| CLogP | 4.8646 |
| CLogS | -6.354 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 285.36 |
| Relative PSA | 0.2801 |
| PolarSurfaceArea | 102.72 |
| Druglikeness | -5.2558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(E)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide | 2 - 2-[(E)-(2-chlorophenyl)methylideneamino]oxy-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
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