bis(prop-2-ynyl) (E)-but-2-enedioate
Formula:C10H8O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
bis(prop-2-ynyl) (E)-but-2-enedioate is a drug-like molecule.
| MolName | bis(prop-2-ynyl) (E)-but-2-enedioate |
| MolecularFormula | C10H8O4 |
| Smiles | C#CCOC(/C=C/C(OCC#C)=O)=O |
| InChI | InChI=1S/C10H8O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h1-2,5-6H,7-8H2 |
| InChIK | UDTFMMZGEOHGNU-UHFFFAOYSA-N |
| TotalMolweight | 192.17 |
| Molweight | 192.17 |
| MonoisotopicMass | 192.04226 |
| CLogP | -0.0086 |
| CLogS | -1.75 |
| H Acceptors | 4 |
| TotalSurfaceArea | 170.64 |
| Relative PSA | 0.27004 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | -6.6555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.85714 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| StereoCon |
Click to Load Molecule:
1 - bis(prop-2-ynyl) (E)-but-2-enedioate | 2 - bis(prop-2-ynyl) (E)-but-2-enedioate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off