2-cyano-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C14H9N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-cyano-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C14H9N3O2Cl2 |
| Smiles | N#CCC(N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1)=O |
| InChI | InChI=1S/C14H9Cl2N3O2/c15-9-1-3-11(12(16)7-9)13-4-2-10(21-13)8-18-19-14(20)5-6-17/h1-4,7-8H,5H2,(H,19,20) |
| InChIK | NCCXGRDHZULVPY-UHFFFAOYSA-N |
| TotalMolweight | 322.15 |
| Molweight | 322.15 |
| MonoisotopicMass | 321.007181 |
| CLogP | 3.6087 |
| CLogS | -5.901 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.99 |
| Relative PSA | 0.26207 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | -0.75259 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
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