[(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-phenoxybutanoate
Formula:C17H17N2O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-phenoxybutanoate is a drug-like molecule.
| MolName | [(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-phenoxybutanoate |
| MolecularFormula | C17H17N2O3Br |
| Smiles | N/C(/c(cc1)ccc1Br)=N\OC(CCCOc1ccccc1)=O |
| InChI | InChI=1S/C17H17BrN2O3/c18-14-10-8-13(9-11-14)17(19)20-23-16(21)7-4-12-22-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12H2,(H2,19,20) |
| InChIK | MVMFQSOIEXVSED-UHFFFAOYSA-N |
| TotalMolweight | 377.237 |
| Molweight | 377.237 |
| MonoisotopicMass | 376.042254 |
| CLogP | 4.281 |
| CLogS | -4.69 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 262.17 |
| Relative PSA | 0.22817 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -10.627 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-phenoxybutanoate | 2 - [(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-phenoxybutanoate
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