bis[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-nitrobenzene-1,4-dicarboxylate
Formula:C36H25N5O10
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
bis[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-nitrobenzene-1,4-dicarboxylate is not a drug-like molecule.
| MolName | bis[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-nitrobenzene-1,4-dicarboxylate |
| MolecularFormula | C36H25N5O10 |
| Smiles | [O-][N+](c(cc(cc1)C(Oc2ccc(/C=N\NC(c(cccc3)c3O)=O)cc2)=O)c1C(Oc1ccc(/C=N\NC(c(cccc2)c2O)=O)cc1)=O)=O |
| InChI | InChI=1S/C36H25N5O10/c42-31-7-3-1-5-28(31)33(44)39-37-20-22-9-14-25(15-10-22)50-35(46)24-13-18-27(30(19-24)41(48)49)36(47)51-26-16-11-23(12-17-26)21-38-40-34(45)29-6-2-4-8-32(29)43/h1-21,42-43H,(H,39,44)(H,40,45) |
| InChIK | YEJJLHJOUVEVGQ-UHFFFAOYSA-N |
| TotalMolweight | 687.62 |
| Molweight | 687.62 |
| MonoisotopicMass | 687.160145 |
| CLogP | 5.9916 |
| CLogS | -8.634 |
| H Acceptors | 15 |
| H Donors | 4 |
| TotalSurfaceArea | 512.11 |
| Relative PSA | 0.34118 |
| PolarSurfaceArea | 221.8 |
| Druglikeness | -1.0774 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62745 |
| Fragments | 1 |
| Non HAtoms | 51 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 13 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - bis[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-nitrobenzene-1,4-dicarboxylate | 2 - bis[4-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-nitrobenzene-1,4-dicarboxylate
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