3,4-dichloro-N-[2-[(2Z)-2-[(6-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C19H12N3O4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,4-dichloro-N-[2-[(2Z)-2-[(6-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 3,4-dichloro-N-[2-[(2Z)-2-[(6-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C19H12N3O4Cl3 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\C1=COc(ccc(Cl)c2)c2C1=O |
| InChI | InChI=1S/C19H12Cl3N3O4/c20-12-2-4-16-13(6-12)18(27)11(9-29-16)7-24-25-17(26)8-23-19(28)10-1-3-14(21)15(22)5-10/h1-7,9H,8H2,(H,23,28)(H,25,26) |
| InChIK | QPGJGURDRRHRPO-UHFFFAOYSA-N |
| TotalMolweight | 452.68 |
| Molweight | 452.68 |
| MonoisotopicMass | 450.989338 |
| CLogP | 3.2207 |
| CLogS | -6.246 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 315.18 |
| Relative PSA | 0.26509 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 5.9407 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 3,4-dichloro-N-[2-[(2Z)-2-[(6-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 3,4-dichloro-N-[2-[(2Z)-2-[(6-chloro-4-oxochromen-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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