N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]cyclopropanecarboxamide
Formula:C9H9N2OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-3-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C9H9N2OBrS |
| Smiles | O=C(C1CC1)N/N=C\c1cscc1Br |
| InChI | InChI=1S/C9H9BrN2OS/c10-8-5-14-4-7(8)3-11-12-9(13)6-1-2-6/h3-6H,1-2H2,(H,12,13) |
| InChIK | UJAMBASNTIWBLD-UHFFFAOYSA-N |
| TotalMolweight | 273.153 |
| Molweight | 273.153 |
| MonoisotopicMass | 271.961894 |
| CLogP | 2.5855 |
| CLogS | -3.801 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 168.32 |
| Relative PSA | 0.3349 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 0.65533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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