N-[(Z)-[4,5-bis(2-chlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C23H15N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4,5-bis(2-chlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[4,5-bis(2-chlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C23H15N3O2Cl2 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cc(-c(cccc2)c2Cl)c(-c(cccc2)c2Cl)o1 |
| InChI | InChI=1S/C23H15Cl2N3O2/c24-20-7-3-1-5-17(20)19-13-16(30-22(19)18-6-2-4-8-21(18)25)14-27-28-23(29)15-9-11-26-12-10-15/h1-14H,(H,28,29) |
| InChIK | XDKREKTVUNWKHY-UHFFFAOYSA-N |
| TotalMolweight | 436.297 |
| Molweight | 436.297 |
| MonoisotopicMass | 435.054131 |
| CLogP | 6.0108 |
| CLogS | -7.944 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.8 |
| Relative PSA | 0.18751 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.669 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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