(7-bromo-5-chloroquinolin-8-yl) piperidine-1-carboxylate
Formula:C15H14N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7-bromo-5-chloroquinolin-8-yl) piperidine-1-carboxylate is a drug-like molecule.
| MolName | (7-bromo-5-chloroquinolin-8-yl) piperidine-1-carboxylate |
| MolecularFormula | C15H14N2O2BrCl |
| Smiles | O=C(N1CCCCC1)Oc(c1ncccc1c(Cl)c1)c1Br |
| InChI | InChI=1S/C15H14BrClN2O2/c16-11-9-12(17)10-5-4-6-18-13(10)14(11)21-15(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2 |
| InChIK | KMWBOUMXDSATMV-UHFFFAOYSA-N |
| TotalMolweight | 369.645 |
| Molweight | 369.645 |
| MonoisotopicMass | 367.992716 |
| CLogP | 4.422 |
| CLogS | -4.965 |
| H Acceptors | 4 |
| TotalSurfaceArea | 234.02 |
| Relative PSA | 0.1605 |
| PolarSurfaceArea | 42.43 |
| Druglikeness | -5.5934 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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