3-chloro-N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C19H12N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-chloro-N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H12N3O2Cl |
| Smiles | N#Cc(cc1)ccc1-c1ccc(/C=N\NC(c2cccc(Cl)c2)=O)o1 |
| InChI | InChI=1S/C19H12ClN3O2/c20-16-3-1-2-15(10-16)19(24)23-22-12-17-8-9-18(25-17)14-6-4-13(11-21)5-7-14/h1-10,12H,(H,23,24) |
| InChIK | QNZGDLVBKCOOQR-UHFFFAOYSA-N |
| TotalMolweight | 349.776 |
| Molweight | 349.776 |
| MonoisotopicMass | 349.061804 |
| CLogP | 4.5821 |
| CLogS | -6.69 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.57 |
| Relative PSA | 0.23277 |
| 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 | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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