(Z)-2-phenylbut-2-enedioic acid
Formula:C10H8O4
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
(Z)-2-phenylbut-2-enedioic acid is a drug-like molecule.
| MolName | (Z)-2-phenylbut-2-enedioic acid |
| MolecularFormula | C10H8O4 |
| Smiles | OC(/C=C(\C(O)=O)/c1ccccc1)=O |
| InChI | InChI=1S/C10H8O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14) |
| InChIK | CQNPSIAJXGEDQS-UHFFFAOYSA-N |
| TotalMolweight | 192.17 |
| Molweight | 192.17 |
| MonoisotopicMass | 192.04226 |
| CLogP | 0.418 |
| CLogS | -1.203 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 146.17 |
| Relative PSA | 0.35767 |
| PolarSurfaceArea | 74.6 |
| Druglikeness | 0.91176 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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