(2Z)-2-(6-bromo-2-oxoacenaphthylen-1-ylidene)benzo[e][1]benzothiol-1-one
Formula:C24H11O2BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(2Z)-2-(6-bromo-2-oxoacenaphthylen-1-ylidene)benzo[e][1]benzothiol-1-one is not a drug-like molecule.
| MolName | (2Z)-2-(6-bromo-2-oxoacenaphthylen-1-ylidene)benzo[e][1]benzothiol-1-one |
| MolecularFormula | C24H11O2BrS |
| Smiles | O=C(c1c(c2ccc3Br)c3ccc1)/C2=C(/C1=O)\Sc2c1c1ccccc1cc2 |
| InChI | InChI=1S/C24H11BrO2S/c25-17-10-9-15-19-14(17)6-3-7-16(19)22(26)21(15)24-23(27)20-13-5-2-1-4-12(13)8-11-18(20)28-24/h1-11H |
| InChIK | SRQCYOJQIIPGEH-UHFFFAOYSA-N |
| TotalMolweight | 443.319 |
| Molweight | 443.319 |
| MonoisotopicMass | 441.966311 |
| CLogP | 5.3955 |
| CLogS | -8.761 |
| H Acceptors | 2 |
| TotalSurfaceArea | 269.76 |
| Relative PSA | 0.16151 |
| PolarSurfaceArea | 59.44 |
| Druglikeness | -0.049016 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| StereoCon |
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