2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one
Formula:C23H14N3O2BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one is not a drug-like molecule.
| MolName | 2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one |
| MolecularFormula | C23H14N3O2BrS |
| Smiles | O=C(C(c1csc(N/N=C\c(cc2)ccc2Br)n1)=C1)Oc2c1c1ccccc1cc2 |
| InChI | InChI=1S/C23H14BrN3O2S/c24-16-8-5-14(6-9-16)12-25-27-23-26-20(13-30-23)19-11-18-17-4-2-1-3-15(17)7-10-21(18)29-22(19)28/h1-13H,(H,26,27) |
| InChIK | SBPZTNIGMKBJRD-UHFFFAOYSA-N |
| TotalMolweight | 476.353 |
| Molweight | 476.353 |
| MonoisotopicMass | 474.999008 |
| CLogP | 7.5328 |
| CLogS | -7.057 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.89 |
| Relative PSA | 0.24483 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 2.5435 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one | 2 - 2-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one
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