| MolName | 1-(4-hydroxyphenyl)-4-oxo-2-N',6-N'-bis[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-2,6-dicarbohydrazide |
| MolecularFormula | C27H21N5O6 |
| Smiles | Oc(cc1)ccc1N(C(C(NN/C=C(\C=CC=C1)/C1=O)=O)=C1)C(C(NN/C=C(\C=CC=C2)/C2=O)=O)=CC1=O |
| InChI | InChI=1S/C27H21N5O6/c33-20-11-9-19(10-12-20)32-22(26(37)30-28-15-17-5-1-3-7-24(17)35)13-21(34)14-23(32)27(38)31-29-16-18-6-2-4-8-25(18)36/h1-16,28-29,33H,(H,30,37)(H,31,38) |
| InChIK | WBDSVRYVQGQEKD-UHFFFAOYSA-N |
| TotalMolweight | 511.493 |
| Molweight | 511.493 |
| MonoisotopicMass | 511.149185 |
| CLogP | -1.5579 |
| CLogS | -4.352 |
| H Acceptors | 11 |
| H Donors | 5 |
| TotalSurfaceArea | 388.84 |
| Relative PSA | 0.32839 |
| PolarSurfaceArea | 156.94 |
| Druglikeness | 5.4483 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - 1-(4-hydroxyphenyl)-4-oxo-2-N',6-N'-bis[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-2,6-dicarbohydrazide | 2 - 1-(4-hydroxyphenyl)-4-oxo-2-N',6-N'-bis[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyridine-2,6-dicarbohydrazide