(Z)-2-cyclopentylbut-2-enedioic acid
Formula:C9H12O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-cyclopentylbut-2-enedioic acid is a drug-like molecule.
| MolName | (Z)-2-cyclopentylbut-2-enedioic acid |
| MolecularFormula | C9H12O4 |
| Smiles | OC(/C=C(/C1CCCC1)\C(O)=O)=O |
| InChI | InChI=1S/C9H12O4/c10-8(11)5-7(9(12)13)6-3-1-2-4-6/h5-6H,1-4H2,(H,10,11)(H,12,13) |
| InChIK | HIAWKQYYSCIRMU-UHFFFAOYSA-N |
| TotalMolweight | 184.19 |
| Molweight | 184.19 |
| MonoisotopicMass | 184.07356 |
| CLogP | 0.6897 |
| CLogS | -1.426 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 140.45 |
| Relative PSA | 0.37223 |
| PolarSurfaceArea | 74.6 |
| Druglikeness | -1.1123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-cyclopentylbut-2-enedioic acid | 2 - (Z)-2-cyclopentylbut-2-enedioic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off