N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
Formula:C14H10N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide |
| MolecularFormula | C14H10N3O2Br |
| Smiles | N#CCC(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O |
| InChI | InChI=1S/C14H10BrN3O2/c15-11-3-1-10(2-4-11)13-6-5-12(20-13)9-17-18-14(19)7-8-16/h1-6,9H,7H2,(H,18,19) |
| InChIK | AEAUIVUMQZTNOD-UHFFFAOYSA-N |
| TotalMolweight | 332.156 |
| Molweight | 332.156 |
| MonoisotopicMass | 330.995638 |
| CLogP | 3.1219 |
| CLogS | -5.263 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 230.78 |
| Relative PSA | 0.27593 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -2.5753 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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