(E)-3-(1-hydroxycyclohexyl)prop-2-enal
Formula:C9H14O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-3-(1-hydroxycyclohexyl)prop-2-enal is a drug-like molecule.
| MolName | (E)-3-(1-hydroxycyclohexyl)prop-2-enal |
| MolecularFormula | C9H14O2 |
| Smiles | OC1(CCCCC1)/C=C/C=O |
| InChI | InChI=1S/C9H14O2/c10-8-4-7-9(11)5-2-1-3-6-9/h4,7-8,11H,1-3,5-6H2 |
| InChIK | QNBMNCCSGZIDMZ-UHFFFAOYSA-N |
| TotalMolweight | 154.208 |
| Molweight | 154.208 |
| MonoisotopicMass | 154.09938 |
| CLogP | 1.0155 |
| CLogS | -1.88 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 131.6 |
| Relative PSA | 0.19863 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -7.8674 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
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