[(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate
Formula:C20H17NO2BrCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
[(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate is not a drug-like molecule.
| MolName | [(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C20H17NO2BrCl |
| Smiles | O=C(C1CC1)O/N=C(\C(C1)C1c(cc1)ccc1Cl)/c(cc1)ccc1Br |
| InChI | InChI=1S/C20H17BrClNO2/c21-15-7-3-13(4-8-15)19(23-25-20(24)14-1-2-14)18-11-17(18)12-5-9-16(22)10-6-12/h3-10,14,17-18H,1-2,11H2 |
| InChIK | XKQSPHMBCFUQNJ-UHFFFAOYSA-N |
| TotalMolweight | 418.717 |
| Molweight | 418.717 |
| MonoisotopicMass | 417.013117 |
| CLogP | 6.124 |
| CLogS | -6.796 |
| H Acceptors | 3 |
| TotalSurfaceArea | 269.57 |
| Relative PSA | 0.12817 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -2.6023 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| StereoCon | unknown chirality |
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1 - [(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate | 2 - [(E)-[(4-bromophenyl)-[2-(4-chlorophenyl)cyclopropyl]methylidene]amino] cyclopropanecarboxylate
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