2,4-dichloro-N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C19H11N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H11N3O2Cl2 |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)o1 |
| InChI | InChI=1S/C19H11Cl2N3O2/c20-13-5-7-16(17(21)9-13)19(25)24-23-11-14-6-8-18(26-14)15-4-2-1-3-12(15)10-22/h1-9,11H,(H,24,25) |
| InChIK | NCXXGKBXTZYKCN-UHFFFAOYSA-N |
| TotalMolweight | 384.221 |
| Molweight | 384.221 |
| MonoisotopicMass | 383.022831 |
| CLogP | 5.1881 |
| CLogS | -7.426 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.99 |
| Relative PSA | 0.22035 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | 2.2137 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| StereoCon |
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