N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-cyanoacetamide
Formula:C12H10N3OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-cyanoacetamide |
| MolecularFormula | C12H10N3OBr |
| Smiles | N#CCC(N/N=C\C(\Br)=C\c1ccccc1)=O |
| InChI | InChI=1S/C12H10BrN3O/c13-11(8-10-4-2-1-3-5-10)9-15-16-12(17)6-7-14/h1-5,8-9H,6H2,(H,16,17) |
| InChIK | JPFHVYNWDPIKEO-UHFFFAOYSA-N |
| TotalMolweight | 292.135 |
| Molweight | 292.135 |
| MonoisotopicMass | 291.000723 |
| CLogP | 2.0687 |
| CLogS | -4.094 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.04 |
| Relative PSA | 0.24058 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -7.9872 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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