3-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one
Formula:C19H10N3O2BrCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
3-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one is not a drug-like molecule.
| MolName | 3-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one |
| MolecularFormula | C19H10N3O2BrCl2S |
| Smiles | O=C1Oc(c(Cl)cc(Cl)c2)c2C=C1c1csc(N/N=C\c(cc2)ccc2Br)n1 |
| InChI | InChI=1S/C19H10BrCl2N3O2S/c20-12-3-1-10(2-4-12)8-23-25-19-24-16(9-28-19)14-6-11-5-13(21)7-15(22)17(11)27-18(14)26/h1-9H,(H,24,25) |
| InChIK | CYXKNLSEJQRXMQ-UHFFFAOYSA-N |
| TotalMolweight | 495.183 |
| Molweight | 495.183 |
| MonoisotopicMass | 492.905412 |
| CLogP | 7.5504 |
| CLogS | -6.923 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 312.13 |
| Relative PSA | 0.24778 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 2.5996 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one | 2 - 3-[2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-6,8-dichlorochromen-2-one
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