[(Z)-(4-bromophenyl)methylideneamino] 3-phenylpropanoate
Formula:C16H14NO2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(4-bromophenyl)methylideneamino] 3-phenylpropanoate is not a drug-like molecule.
| MolName | [(Z)-(4-bromophenyl)methylideneamino] 3-phenylpropanoate |
| MolecularFormula | C16H14NO2Br |
| Smiles | O=C(CCc1ccccc1)O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H14BrNO2/c17-15-9-6-14(7-10-15)12-18-20-16(19)11-8-13-4-2-1-3-5-13/h1-7,9-10,12H,8,11H2 |
| InChIK | CVYBSYNBCOXXQO-UHFFFAOYSA-N |
| TotalMolweight | 332.196 |
| Molweight | 332.196 |
| MonoisotopicMass | 331.02079 |
| CLogP | 5.0958 |
| CLogS | -4.84 |
| H Acceptors | 3 |
| TotalSurfaceArea | 231.68 |
| Relative PSA | 0.14913 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -8.4588 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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