(2Z)-2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]butanedioic acid
Formula:C13H10O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]butanedioic acid is a drug-like molecule.
| MolName | (2Z)-2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]butanedioic acid |
| MolecularFormula | C13H10O4S2 |
| Smiles | OC(C/C(/C(O)=O)=C/c1ccc(-c2cccs2)s1)=O |
| InChI | InChI=1S/C13H10O4S2/c14-12(15)7-8(13(16)17)6-9-3-4-11(19-9)10-2-1-5-18-10/h1-6H,7H2,(H,14,15)(H,16,17) |
| InChIK | RBDAEOZWRCMCAO-UHFFFAOYSA-N |
| TotalMolweight | 294.35 |
| Molweight | 294.35 |
| MonoisotopicMass | 294.00205 |
| CLogP | 3.0468 |
| CLogS | -3.906 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 211.57 |
| Relative PSA | 0.43957 |
| PolarSurfaceArea | 131.08 |
| Druglikeness | 2.2228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (2Z)-2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]butanedioic acid | 2 - (2Z)-2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]butanedioic acid
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