[3-benzoyloxy-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C29H20N3O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-benzoyloxy-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-benzoyloxy-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C29H20N3O6Cl |
| Smiles | O=C(C(N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O)=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C29H20ClN3O6/c30-23-13-7-8-14-24(23)32-26(34)27(35)33-31-18-21-15-16-22(38-28(36)19-9-3-1-4-10-19)17-25(21)39-29(37)20-11-5-2-6-12-20/h1-18H,(H,32,34)(H,33,35) |
| InChIK | OUXHIYNEMDESHU-UHFFFAOYSA-N |
| TotalMolweight | 541.946 |
| Molweight | 541.946 |
| MonoisotopicMass | 541.104064 |
| CLogP | 5.6109 |
| CLogS | -7.201 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 406.64 |
| Relative PSA | 0.26212 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 3.4163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [3-benzoyloxy-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [3-benzoyloxy-4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
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