(E)-4-cyclohexyloxy-4-oxobut-2-enoic acid
Formula:C10H14O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-cyclohexyloxy-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-cyclohexyloxy-4-oxobut-2-enoic acid |
| MolecularFormula | C10H14O4 |
| Smiles | OC(/C=C/C(OC1CCCCC1)=O)=O |
| InChI | InChI=1S/C10H14O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12) |
| InChIK | ZMQWRASVUXJXGM-UHFFFAOYSA-N |
| TotalMolweight | 198.217 |
| Molweight | 198.217 |
| MonoisotopicMass | 198.08921 |
| CLogP | 1.0648 |
| CLogS | -1.948 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 159.65 |
| Relative PSA | 0.30805 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | -8.0391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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