(Z)-hex-3-enedioic acid
Formula:C6H8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-hex-3-enedioic acid is a drug-like molecule.
| MolName | (Z)-hex-3-enedioic acid |
| MolecularFormula | C6H8O4 |
| Smiles | OC(C/C=C\CC(O)=O)=O |
| InChI | InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10) |
| InChIK | YHGNXQAFNHCBTK-UHFFFAOYSA-N |
| TotalMolweight | 144.126 |
| Molweight | 144.126 |
| MonoisotopicMass | 144.04226 |
| CLogP | -0.01 |
| CLogS | -0.786 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 115.72 |
| Relative PSA | 0.45178 |
| PolarSurfaceArea | 74.6 |
| Druglikeness | -2.6805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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