(E)-9-hydroxynon-2-enoic acid
Formula:C9H16O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-9-hydroxynon-2-enoic acid is a drug-like molecule.
| MolName | (E)-9-hydroxynon-2-enoic acid |
| MolecularFormula | C9H16O3 |
| Smiles | OCCCCCC/C=C/C(O)=O |
| InChI | InChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h5,7,10H,1-4,6,8H2,(H,11,12) |
| InChIK | CHVXQERRIUDGMW-UHFFFAOYSA-N |
| TotalMolweight | 172.223 |
| Molweight | 172.223 |
| MonoisotopicMass | 172.109945 |
| CLogP | 1.7028 |
| CLogS | -1.614 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 153.01 |
| Relative PSA | 0.25645 |
| PolarSurfaceArea | 57.53 |
| Druglikeness | -21.39 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.91667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Sp3Atoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-9-hydroxynon-2-enoic acid | 2 - (E)-9-hydroxynon-2-enoic acid
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