2-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one
Formula:C23H15N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one is not a drug-like molecule.
| MolName | 2-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one |
| MolecularFormula | C23H15N3O2S |
| Smiles | O=C(C(c1csc(N/N=C\c2ccccc2)n1)=C1)Oc2c1c1ccccc1cc2 |
| InChI | InChI=1S/C23H15N3O2S/c27-22-19(12-18-17-9-5-4-8-16(17)10-11-21(18)28-22)20-14-29-23(25-20)26-24-13-15-6-2-1-3-7-15/h1-14H,(H,25,26) |
| InChIK | QZEDBVFDQDHXLR-UHFFFAOYSA-N |
| TotalMolweight | 397.457 |
| Molweight | 397.457 |
| MonoisotopicMass | 397.088497 |
| CLogP | 6.8076 |
| CLogS | -6.223 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.26 |
| Relative PSA | 0.26018 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 4.3335 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-benzylidenehydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one | 2 - 2-[2-[(2Z)-2-benzylidenehydrazinyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one
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