[(Z)-(4-bromophenyl)methylideneamino] 2-phenylcyclopropane-1-carboxylate
Formula:C17H14NO2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(4-bromophenyl)methylideneamino] 2-phenylcyclopropane-1-carboxylate is not a drug-like molecule.
| MolName | [(Z)-(4-bromophenyl)methylideneamino] 2-phenylcyclopropane-1-carboxylate |
| MolecularFormula | C17H14NO2Br |
| Smiles | O=C(C(C1)C1c1ccccc1)O/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H14BrNO2/c18-14-8-6-12(7-9-14)11-19-21-17(20)16-10-15(16)13-4-2-1-3-5-13/h1-9,11,15-16H,10H2 |
| InChIK | BWIBJURRTJGCLL-UHFFFAOYSA-N |
| TotalMolweight | 344.207 |
| Molweight | 344.207 |
| MonoisotopicMass | 343.02079 |
| CLogP | 5.262 |
| CLogS | -5.184 |
| H Acceptors | 3 |
| TotalSurfaceArea | 229.42 |
| Relative PSA | 0.1506 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -3.6613 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | unknown chirality |
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1 - [(Z)-(4-bromophenyl)methylideneamino] 2-phenylcyclopropane-1-carboxylate | 2 - [(Z)-(4-bromophenyl)methylideneamino] 2-phenylcyclopropane-1-carboxylate
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