2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
Formula:C17H19N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.
| MolName | 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid |
| MolecularFormula | C17H19N3O3S |
| Smiles | OC(CC(C(N1c2ccccc2)=O)S/C1=N/N=C1CCCCC1)=O |
| InChI | InChI=1S/C17H19N3O3S/c21-15(22)11-14-16(23)20(13-9-5-2-6-10-13)17(24-14)19-18-12-7-3-1-4-8-12/h2,5-6,9-10,14H,1,3-4,7-8,11H2,(H,21,22)/t14-/m0/s1 |
| InChIK | YGVUHDPOGGNSET-AWEZNQCLSA-N |
| TotalMolweight | 345.422 |
| Molweight | 345.422 |
| MonoisotopicMass | 345.114712 |
| CLogP | 3.9177 |
| CLogS | -4.797 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.9 |
| Relative PSA | 0.32402 |
| PolarSurfaceArea | 107.63 |
| Druglikeness | 0.043827 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[(2E)-2-(cyclohexylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
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