[(E)-[amino-(3-bromophenyl)methylidene]amino] 2-phenylsulfanylacetate
Formula:C15H13N2O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(3-bromophenyl)methylidene]amino] 2-phenylsulfanylacetate is a drug-like molecule.
| MolName | [(E)-[amino-(3-bromophenyl)methylidene]amino] 2-phenylsulfanylacetate |
| MolecularFormula | C15H13N2O2BrS |
| Smiles | N/C(/c1cccc(Br)c1)=N/OC(CSc1ccccc1)=O |
| InChI | InChI=1S/C15H13BrN2O2S/c16-12-6-4-5-11(9-12)15(17)18-20-14(19)10-21-13-7-2-1-3-8-13/h1-9H,10H2,(H2,17,18) |
| InChIK | LIDFOJSDBXBUQS-UHFFFAOYSA-N |
| TotalMolweight | 365.25 |
| Molweight | 365.25 |
| MonoisotopicMass | 363.988109 |
| CLogP | 4.0101 |
| CLogS | -4.912 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.14 |
| Relative PSA | 0.27798 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | -3.8135 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 2-phenylsulfanylacetate | 2 - [(E)-[amino-(3-bromophenyl)methylidene]amino] 2-phenylsulfanylacetate
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