(Z)-2-(1,3-dioxoisoindol-2-yl)pent-2-enedioic acid
Formula:C13H9NO6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-2-(1,3-dioxoisoindol-2-yl)pent-2-enedioic acid is a drug-like molecule.
| MolName | (Z)-2-(1,3-dioxoisoindol-2-yl)pent-2-enedioic acid |
| MolecularFormula | C13H9NO6 |
| Smiles | OC(C/C=C(/C(O)=O)\N(C(c1c2cccc1)=O)C2=O)=O |
| InChI | InChI=1S/C13H9NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-5H,6H2,(H,15,16)(H,19,20) |
| InChIK | STKDAGGQFLWRQK-UHFFFAOYSA-N |
| TotalMolweight | 275.215 |
| Molweight | 275.215 |
| MonoisotopicMass | 275.042989 |
| CLogP | 0.7183 |
| CLogS | -1.895 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 192.23 |
| Relative PSA | 0.4261 |
| PolarSurfaceArea | 111.98 |
| Druglikeness | 3.2541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-(1,3-dioxoisoindol-2-yl)pent-2-enedioic acid | 2 - (Z)-2-(1,3-dioxoisoindol-2-yl)pent-2-enedioic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off