2-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H14N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H14N3O2Cl |
| Smiles | Nc(cccc1)c1C(N/N=C/c1ccc(-c(cc2)ccc2Cl)o1)=O |
| InChI | InChI=1S/C18H14ClN3O2/c19-13-7-5-12(6-8-13)17-10-9-14(24-17)11-21-22-18(23)15-3-1-2-4-16(15)20/h1-11H,20H2,(H,22,23) |
| InChIK | FFNKKWDMJOJVHV-UHFFFAOYSA-N |
| TotalMolweight | 339.781 |
| Molweight | 339.781 |
| MonoisotopicMass | 339.077454 |
| CLogP | 4.0692 |
| CLogS | -5.993 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 260.38 |
| Relative PSA | 0.25113 |
| PolarSurfaceArea | 80.62 |
| Druglikeness | 6.4596 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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