N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C25H18N2O3BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C25H18N2O3BrCl |
| Smiles | OC(C(N/N=C\c1ccc(-c(cc2)cc(Cl)c2Br)o1)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H18BrClN2O3/c26-21-13-11-17(15-22(21)27)23-14-12-20(32-23)16-28-29-24(30)25(31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,31H,(H,29,30) |
| InChIK | XSZJXOZLSXZOTC-UHFFFAOYSA-N |
| TotalMolweight | 509.786 |
| Molweight | 509.786 |
| MonoisotopicMass | 508.018931 |
| CLogP | 5.752 |
| CLogS | -7.457 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 347.01 |
| Relative PSA | 0.18218 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 5.6519 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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