2-[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one
Formula:C24H15NO2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one is not a drug-like molecule.
| MolName | 2-[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one |
| MolecularFormula | C24H15NO2S |
| Smiles | O=C(C(c1csc(/C=C/c2ccccc2)n1)=C1)Oc2c1c1ccccc1cc2 |
| InChI | InChI=1S/C24H15NO2S/c26-24-20(14-19-18-9-5-4-8-17(18)11-12-22(19)27-24)21-15-28-23(25-21)13-10-16-6-2-1-3-7-16/h1-15H |
| InChIK | JZXKSJZXKVYFPG-UHFFFAOYSA-N |
| TotalMolweight | 381.454 |
| Molweight | 381.454 |
| MonoisotopicMass | 381.082349 |
| CLogP | 5.0381 |
| CLogS | -6.123 |
| H Acceptors | 3 |
| TotalSurfaceArea | 287.54 |
| Relative PSA | 0.18909 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | 3.1256 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one | 2 - 2-[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one
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