(4Z)-4-[(4-fluorophenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
Formula:C15H8N3OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[(4-fluorophenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one is a drug-like molecule.
| MolName | (4Z)-4-[(4-fluorophenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one |
| MolecularFormula | C15H8N3OFS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2F)n2c1nc1c2nccc1 |
| InChI | InChI=1S/C15H8FN3OS/c16-10-5-3-9(4-6-10)8-12-14(20)19-13-11(2-1-7-17-13)18-15(19)21-12/h1-8H |
| InChIK | BCTIWEVCMIFGKF-UHFFFAOYSA-N |
| TotalMolweight | 297.313 |
| Molweight | 297.313 |
| MonoisotopicMass | 297.03721 |
| CLogP | 2.889 |
| CLogS | -4.499 |
| H Acceptors | 4 |
| TotalSurfaceArea | 207.14 |
| Relative PSA | 0.28647 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 2.0237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(4-fluorophenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one | 2 - (4Z)-4-[(4-fluorophenyl)methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
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