5-bromo-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H10N3O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H10N3O2BrCl2 |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1 |
| InChI | InChI=1S/C17H10BrCl2N3O2/c18-12-5-11(7-21-8-12)17(24)23-22-9-13-2-4-16(25-13)10-1-3-14(19)15(20)6-10/h1-9H,(H,23,24) |
| InChIK | LLGJTWLBXJPEBR-UHFFFAOYSA-N |
| TotalMolweight | 439.095 |
| Molweight | 439.095 |
| MonoisotopicMass | 436.933342 |
| CLogP | 5.0768 |
| CLogS | -6.692 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.67 |
| Relative PSA | 0.2146 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.7037 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-bromo-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide | 2 - 5-bromo-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off