[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenylacetate
Formula:C15H13N2O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenylacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenylacetate |
| MolecularFormula | C15H13N2O2Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(Cc1ccccc1)=O |
| InChI | InChI=1S/C15H13BrN2O2/c16-13-8-6-12(7-9-13)15(17)18-20-14(19)10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18) |
| InChIK | PTYBIHWLGIWXPU-UHFFFAOYSA-N |
| TotalMolweight | 333.184 |
| Molweight | 333.184 |
| MonoisotopicMass | 332.016039 |
| CLogP | 3.7954 |
| CLogS | -4.335 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.65 |
| Relative PSA | 0.22177 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -5.6183 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenylacetate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-phenylacetate
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