2-[2-[(Z)-[3-[(Z)-benzylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Formula:C19H14N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[3-[(Z)-benzylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[3-[(Z)-benzylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C19H14N2O4S2 |
| Smiles | OC(COc1c(/C=C(/C(N2/N=C\c3ccccc3)=O)\SC2=S)cccc1)=O |
| InChI | InChI=1S/C19H14N2O4S2/c22-17(23)12-25-15-9-5-4-8-14(15)10-16-18(24)21(19(26)27-16)20-11-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23) |
| InChIK | BQPDHBMEIZGDOJ-UHFFFAOYSA-N |
| TotalMolweight | 398.462 |
| Molweight | 398.462 |
| MonoisotopicMass | 398.039498 |
| CLogP | 2.1152 |
| CLogS | -4.888 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.1 |
| Relative PSA | 0.37184 |
| PolarSurfaceArea | 136.59 |
| Druglikeness | 4.8829 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[3-[(Z)-benzylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[3-[(Z)-benzylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off