N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H12N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H12N2O2Cl2 |
| Smiles | O=C(c1ccccc1)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C18H12Cl2N2O2/c19-15-8-6-13(10-16(15)20)17-9-7-14(24-17)11-21-22-18(23)12-4-2-1-3-5-12/h1-11H,(H,22,23) |
| InChIK | KQJAQSMXAJUWLD-UHFFFAOYSA-N |
| TotalMolweight | 359.211 |
| Molweight | 359.211 |
| MonoisotopicMass | 358.027582 |
| CLogP | 5.3525 |
| CLogS | -6.653 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.28 |
| Relative PSA | 0.18752 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 6.4937 |
| 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 |
| StereoCon |
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