[3-benzoyloxy-4-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C29H21N2O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H21N2O6Cl |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C29H21ClN2O6/c30-24-13-7-8-14-25(24)36-19-27(33)32-31-18-22-15-16-23(37-28(34)20-9-3-1-4-10-20)17-26(22)38-29(35)21-11-5-2-6-12-21/h1-18H,19H2,(H,32,33) |
| InChIK | BUMCQYGUHSMQPL-UHFFFAOYSA-N |
| TotalMolweight | 528.947 |
| Molweight | 528.947 |
| MonoisotopicMass | 528.108815 |
| CLogP | 6.2435 |
| CLogS | -7.177 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 401.19 |
| Relative PSA | 0.22954 |
| PolarSurfaceArea | 103.29 |
| Druglikeness | 4.0206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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