N-[(Z)-[5-bromo-2-(cyanomethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C14H10N3O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[5-bromo-2-(cyanomethoxy)phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-bromo-2-(cyanomethoxy)phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C14H10N3O2BrS |
| Smiles | N#CCOc(cc1)c(/C=N\NC(c2cccs2)=O)cc1Br |
| InChI | InChI=1S/C14H10BrN3O2S/c15-11-3-4-12(20-6-5-16)10(8-11)9-17-18-14(19)13-2-1-7-21-13/h1-4,7-9H,6H2,(H,18,19) |
| InChIK | LKWKFCFEKCMAGF-UHFFFAOYSA-N |
| TotalMolweight | 364.222 |
| Molweight | 364.222 |
| MonoisotopicMass | 362.967708 |
| CLogP | 3.3753 |
| CLogS | -5.031 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247.03 |
| Relative PSA | 0.32356 |
| PolarSurfaceArea | 102.72 |
| Druglikeness | -0.16132 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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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