(Z)-1-(5-bromofuran-2-yl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
Formula:C14H10N4OBrClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-1-(5-bromofuran-2-yl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-bromofuran-2-yl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine |
| MolecularFormula | C14H10N4OBrClS |
| Smiles | Clc1ccc(CSc2nncn2/N=C\c(o2)ccc2Br)cc1 |
| InChI | InChI=1S/C14H10BrClN4OS/c15-13-6-5-12(21-13)7-18-20-9-17-19-14(20)22-8-10-1-3-11(16)4-2-10/h1-7,9H,8H2 |
| InChIK | ATXVBUVXZWDLRM-UHFFFAOYSA-N |
| TotalMolweight | 397.683 |
| Molweight | 397.683 |
| MonoisotopicMass | 395.944719 |
| CLogP | 4.0491 |
| CLogS | -7.523 |
| H Acceptors | 5 |
| TotalSurfaceArea | 259.25 |
| Relative PSA | 0.27742 |
| PolarSurfaceArea | 81.51 |
| Druglikeness | 3.049 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-(5-bromofuran-2-yl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine | 2 - (Z)-1-(5-bromofuran-2-yl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
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