[3-benzoyloxy-4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C28H19N3O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C28H19N3O7 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c(ccc(OC(c2ccccc2)=O)c2)c2OC(c2ccccc2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C28H19N3O7/c32-26(21-12-7-13-23(16-21)31(35)36)30-29-18-22-14-15-24(37-27(33)19-8-3-1-4-9-19)17-25(22)38-28(34)20-10-5-2-6-11-20/h1-18H,(H,30,32) |
| InChIK | KUACQZSSBSDNKN-UHFFFAOYSA-N |
| TotalMolweight | 509.473 |
| Molweight | 509.473 |
| MonoisotopicMass | 509.122302 |
| CLogP | 5.141 |
| CLogS | -7.121 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 385.68 |
| Relative PSA | 0.29172 |
| PolarSurfaceArea | 139.88 |
| Druglikeness | -1.0881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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