[(Z)-(4-bromophenyl)methylideneamino] 2-pyrimidin-2-ylsulfanylacetate
Formula:C13H10N3O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-bromophenyl)methylideneamino] 2-pyrimidin-2-ylsulfanylacetate is a drug-like molecule.
| MolName | [(Z)-(4-bromophenyl)methylideneamino] 2-pyrimidin-2-ylsulfanylacetate |
| MolecularFormula | C13H10N3O2BrS |
| Smiles | O=C(CSc1ncccn1)O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C13H10BrN3O2S/c14-11-4-2-10(3-5-11)8-17-19-12(18)9-20-13-15-6-1-7-16-13/h1-8H,9H2 |
| InChIK | QVCCRNQAGYZBPQ-UHFFFAOYSA-N |
| TotalMolweight | 352.211 |
| Molweight | 352.211 |
| MonoisotopicMass | 350.967708 |
| CLogP | 3.535 |
| CLogS | -3.912 |
| H Acceptors | 5 |
| TotalSurfaceArea | 232.93 |
| Relative PSA | 0.31761 |
| PolarSurfaceArea | 89.74 |
| Druglikeness | -4.383 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-(4-bromophenyl)methylideneamino] 2-pyrimidin-2-ylsulfanylacetate | 2 - [(Z)-(4-bromophenyl)methylideneamino] 2-pyrimidin-2-ylsulfanylacetate
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