[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-thiophen-2-ylacetate
Formula:C13H11N2O2BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-thiophen-2-ylacetate is a drug-like molecule.
| MolName | [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-thiophen-2-ylacetate |
| MolecularFormula | C13H11N2O2BrS |
| Smiles | N/C(/c(cc1)ccc1Br)=N\OC(Cc1cccs1)=O |
| InChI | InChI=1S/C13H11BrN2O2S/c14-10-5-3-9(4-6-10)13(15)16-18-12(17)8-11-2-1-7-19-11/h1-7H,8H2,(H2,15,16) |
| InChIK | FXXUEJJFVWYPJD-UHFFFAOYSA-N |
| TotalMolweight | 339.212 |
| Molweight | 339.212 |
| MonoisotopicMass | 337.972459 |
| CLogP | 3.662 |
| CLogS | -4.345 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.59 |
| Relative PSA | 0.31815 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -3.0717 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-thiophen-2-ylacetate | 2 - [(Z)-[amino-(4-bromophenyl)methylidene]amino] 2-thiophen-2-ylacetate
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