N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]benzamide
Formula:C18H13N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C18H13N2O2Br |
| Smiles | O=C(c1ccccc1)N/N=C\c1ccc(-c(cccc2)c2Br)o1 |
| InChI | InChI=1S/C18H13BrN2O2/c19-16-9-5-4-8-15(16)17-11-10-14(23-17)12-20-21-18(22)13-6-2-1-3-7-13/h1-12H,(H,21,22) |
| InChIK | LFNXZVGBFBUARW-UHFFFAOYSA-N |
| TotalMolweight | 369.217 |
| Molweight | 369.217 |
| MonoisotopicMass | 368.016039 |
| CLogP | 4.8657 |
| CLogS | -6.015 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 255.07 |
| Relative PSA | 0.1965 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 4.6783 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| StereoCon |
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