10-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Formula:C17H12N2OClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
10-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is a drug-like molecule.
| MolName | 10-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one |
| MolecularFormula | C17H12N2OClFS |
| Smiles | O=C1NC(/C(/Cl)=C/c(cc2)ccc2F)=Nc2c1c(CCC1)c1s2 |
| InChI | InChI=1S/C17H12ClFN2OS/c18-12(8-9-4-6-10(19)7-5-9)15-20-16(22)14-11-2-1-3-13(11)23-17(14)21-15/h4-8H,1-3H2,(H,20,21,22) |
| InChIK | VQASDYFMAYKDBI-UHFFFAOYSA-N |
| TotalMolweight | 346.812 |
| Molweight | 346.812 |
| MonoisotopicMass | 346.034288 |
| CLogP | 3.9954 |
| CLogS | -5.562 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 241.9 |
| Relative PSA | 0.23303 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 0.87661 |
| Mutagenic | high |
| 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 | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 10-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one | 2 - 10-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
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