(Z)-1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
Formula:C13H8N4OBrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C13H8N4OBrCl |
| Smiles | Clc(cc(cc1)-c2ccc(/C=N\n3cnnc3)o2)c1Br |
| InChI | InChI=1S/C13H8BrClN4O/c14-11-3-1-9(5-12(11)15)13-4-2-10(20-13)6-18-19-7-16-17-8-19/h1-8H |
| InChIK | RBYNZXGGTOXOGC-UHFFFAOYSA-N |
| TotalMolweight | 351.591 |
| Molweight | 351.591 |
| MonoisotopicMass | 349.956999 |
| CLogP | 3.4984 |
| CLogS | -7.34 |
| H Acceptors | 5 |
| TotalSurfaceArea | 228 |
| Relative PSA | 0.23873 |
| PolarSurfaceArea | 56.21 |
| Druglikeness | 4.2763 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
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