2-[2-[(2Z)-2-benzylidenehydrazinyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
Formula:C18H15N3O2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[2-[(2Z)-2-benzylidenehydrazinyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is not a drug-like molecule.
| MolName | 2-[2-[(2Z)-2-benzylidenehydrazinyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid |
| MolecularFormula | C18H15N3O2S |
| Smiles | OC(Cc1c(-c2ccccc2)nc(N/N=C\c2ccccc2)s1)=O |
| InChI | InChI=1S/C18H15N3O2S/c22-16(23)11-15-17(14-9-5-2-6-10-14)20-18(24-15)21-19-12-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,20,21)(H,22,23) |
| InChIK | QEUYKMZLRJUCKC-UHFFFAOYSA-N |
| TotalMolweight | 337.402 |
| Molweight | 337.402 |
| MonoisotopicMass | 337.088497 |
| CLogP | 5.6114 |
| CLogS | -4.748 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.56 |
| Relative PSA | 0.30754 |
| PolarSurfaceArea | 102.82 |
| Druglikeness | 3.7426 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(2Z)-2-benzylidenehydrazinyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid | 2 - 2-[2-[(2Z)-2-benzylidenehydrazinyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
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