(2E)-hepta-2,6-dienoic acid
Formula:C7H10O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-hepta-2,6-dienoic acid is a drug-like molecule.
| MolName | (2E)-hepta-2,6-dienoic acid |
| MolecularFormula | C7H10O2 |
| Smiles | C=CCC/C=C/C(O)=O |
| InChI | InChI=1S/C7H10O2/c1-2-3-4-5-6-7(8)9/h2,5-6H,1,3-4H2,(H,8,9) |
| InChIK | QQVKNEQDEIZBLC-UHFFFAOYSA-N |
| TotalMolweight | 126.154 |
| Molweight | 126.154 |
| MonoisotopicMass | 126.06808 |
| CLogP | 1.5352 |
| CLogS | -1.52 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 116.16 |
| Relative PSA | 0.22503 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -9.5668 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.88889 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-hepta-2,6-dienoic acid | 2 - (2E)-hepta-2,6-dienoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off