5-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide
Formula:C18H12N2O3Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C18H12N2O3Br2 |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O |
| InChI | InChI=1S/C18H12Br2N2O3/c19-12-3-1-11(2-4-12)17-8-6-14(25-17)10-21-22-18(24)15-9-13(20)5-7-16(15)23/h1-10,23H,(H,22,24) |
| InChIK | ANSDPUDVALIDBF-UHFFFAOYSA-N |
| TotalMolweight | 464.112 |
| Molweight | 464.112 |
| MonoisotopicMass | 461.921465 |
| CLogP | 5.2452 |
| CLogS | -6.553 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 280.05 |
| Relative PSA | 0.22575 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 4.6642 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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