(E)-12-bromododec-2-en-1-ol
Formula:C12H23OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(E)-12-bromododec-2-en-1-ol is a drug-like molecule.
| MolName | (E)-12-bromododec-2-en-1-ol |
| MolecularFormula | C12H23OBr |
| Smiles | OC/C=C/CCCCCCCCCBr |
| InChI | InChI=1S/C12H23BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h8,10,14H,1-7,9,11-12H2 |
| InChIK | NYXIGXGYLVONRQ-UHFFFAOYSA-N |
| TotalMolweight | 263.218 |
| Molweight | 263.218 |
| MonoisotopicMass | 262.093226 |
| CLogP | 4.7026 |
| CLogS | -3.492 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 202.58 |
| Relative PSA | 0.064666 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -31.883 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 10 |
| Sp3Atoms | 11 |
| StereoCon |
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