N-[(Z)-(2-bromophenyl)methylideneamino]-2-cyanoacetamide
Formula:C10H8N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C10H8N3OBr |
| Smiles | N#CCC(N/N=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C10H8BrN3O/c11-9-4-2-1-3-8(9)7-13-14-10(15)5-6-12/h1-4,7H,5H2,(H,14,15) |
| InChIK | YGJYIBOQSNQZQL-UHFFFAOYSA-N |
| TotalMolweight | 266.098 |
| Molweight | 266.098 |
| MonoisotopicMass | 264.985073 |
| CLogP | 2.183 |
| CLogS | -3.803 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 181.33 |
| Relative PSA | 0.27337 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -4.6595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-bromophenyl)methylideneamino]-2-cyanoacetamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-2-cyanoacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off