[3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C20H14N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [3-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C20H14N3O3Br |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C\c1cc(OC(c2ccccc2)=O)ccc1 |
| InChI | InChI=1S/C20H14BrN3O3/c21-17-10-16(12-22-13-17)19(25)24-23-11-14-5-4-8-18(9-14)27-20(26)15-6-2-1-3-7-15/h1-13H,(H,24,25) |
| InChIK | WBSHECUWNLLPKJ-UHFFFAOYSA-N |
| TotalMolweight | 424.253 |
| Molweight | 424.253 |
| MonoisotopicMass | 423.021853 |
| CLogP | 4.3564 |
| CLogS | -5.23 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.89 |
| Relative PSA | 0.23988 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 2.2076 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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