2-[(5Z)-5-[[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Formula:C24H13NO6S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(5Z)-5-[[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(5Z)-5-[[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid |
| MolecularFormula | C24H13NO6S2 |
| Smiles | OC(CN(C(/C(/S1)=C/c2ccc(-c(cccc3C(c4c5cccc4)=O)c3C5=O)o2)=O)C1=S)=O |
| InChI | InChI=1S/C24H13NO6S2/c26-19(27)11-25-23(30)18(33-24(25)32)10-12-8-9-17(31-12)15-6-3-7-16-20(15)22(29)14-5-2-1-4-13(14)21(16)28/h1-10H,11H2,(H,26,27) |
| InChIK | UPTAZTPNSDPSBK-UHFFFAOYSA-N |
| TotalMolweight | 475.5 |
| Molweight | 475.5 |
| MonoisotopicMass | 475.018429 |
| CLogP | 2.8398 |
| CLogS | -7.487 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 331.79 |
| Relative PSA | 0.38702 |
| PolarSurfaceArea | 162.28 |
| Druglikeness | -0.50872 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(5Z)-5-[[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(5Z)-5-[[5-(9,10-dioxoanthracen-1-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
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