dicyclohexyl (E)-but-2-enedioate
Formula:C16H24O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
dicyclohexyl (E)-but-2-enedioate is a drug-like molecule.
| MolName | dicyclohexyl (E)-but-2-enedioate |
| MolecularFormula | C16H24O4 |
| Smiles | O=C(/C=C/C(OC1CCCCC1)=O)OC1CCCCC1 |
| InChI | InChI=1S/C16H24O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h11-14H,1-10H2 |
| InChIK | BLKQQTCUGZJWLN-UHFFFAOYSA-N |
| TotalMolweight | 280.363 |
| Molweight | 280.363 |
| MonoisotopicMass | 280.16746 |
| CLogP | 3.0484 |
| CLogS | -3.65 |
| H Acceptors | 4 |
| TotalSurfaceArea | 231.1 |
| Relative PSA | 0.19939 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -11.318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 14 |
| Symmetricatoms | 12 |
| StereoCon |
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