[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
Formula:C19H15N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate |
| MolecularFormula | C19H15N2O3Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(COc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C19H15BrN2O3/c20-16-8-5-14(6-9-16)19(21)22-25-18(23)12-24-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H2,21,22) |
| InChIK | YBGVRNYKPSOFIM-UHFFFAOYSA-N |
| TotalMolweight | 399.243 |
| Molweight | 399.243 |
| MonoisotopicMass | 398.026604 |
| CLogP | 4.5666 |
| CLogS | -5.756 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.25 |
| Relative PSA | 0.22217 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -4.4348 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-naphthalen-2-yloxyacetate
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