N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide
Formula:C13H10N2O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-(2-chlorophenoxy)acetamide |
| MolecularFormula | C13H10N2O2BrClS |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C13H10BrClN2O2S/c14-12-6-5-9(20-12)7-16-17-13(18)8-19-11-4-2-1-3-10(11)15/h1-7H,8H2,(H,17,18) |
| InChIK | LQDHZHAYDAAUCK-UHFFFAOYSA-N |
| TotalMolweight | 373.657 |
| Molweight | 373.657 |
| MonoisotopicMass | 371.933486 |
| CLogP | 4.179 |
| CLogS | -5.098 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.74 |
| Relative PSA | 0.27569 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 2.1678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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