(6Z)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C17H10N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C17H10N3OClS |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)n2c1nnc2-c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H10ClN3OS/c18-13-8-6-12(7-9-13)15-19-20-17-21(15)16(22)14(23-17)10-11-4-2-1-3-5-11/h1-10H |
| InChIK | GRMVSXWUGBVLFX-UHFFFAOYSA-N |
| TotalMolweight | 339.805 |
| Molweight | 339.805 |
| MonoisotopicMass | 339.023309 |
| CLogP | 3.9255 |
| CLogS | -5.755 |
| H Acceptors | 4 |
| TotalSurfaceArea | 241.37 |
| Relative PSA | 0.24585 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 4.2455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (6Z)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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