(10Z)-10-[(4-chlorophenyl)methylidene]-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione
Formula:C24H16NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(10Z)-10-[(4-chlorophenyl)methylidene]-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione is not a drug-like molecule.
| MolName | (10Z)-10-[(4-chlorophenyl)methylidene]-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione |
| MolecularFormula | C24H16NO2ClS |
| Smiles | O=C(c1c2cccc1)N(Cc(cccc1)c1C1=O)C2S/C1=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H16ClNO2S/c25-17-11-9-15(10-12-17)13-21-22(27)18-6-2-1-5-16(18)14-26-23(28)19-7-3-4-8-20(19)24(26)29-21/h1-13,24H,14H2/t24-/m0/s1 |
| InChIK | VPCZYOUUMWWWNL-DEOSSOPVSA-N |
| TotalMolweight | 417.915 |
| Molweight | 417.915 |
| MonoisotopicMass | 417.059026 |
| CLogP | 5.0201 |
| CLogS | -6.258 |
| H Acceptors | 3 |
| TotalSurfaceArea | 295.46 |
| Relative PSA | 0.15948 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 4.7344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (10Z)-10-[(4-chlorophenyl)methylidene]-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione | 2 - (10Z)-10-[(4-chlorophenyl)methylidene]-11-thia-1-azatetracyclo[10.7.0.03,8.013,18]nonadeca-3,5,7,13,15,17-hexaene-9,19-dione
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