[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C29H17N3O6Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C29H17N3O6Cl4 |
| Smiles | O=C(C(N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C29H17Cl4N3O6/c30-19-9-4-16(5-10-19)28(39)41-21-13-8-18(24(14-21)42-29(40)17-6-11-20(31)12-7-17)15-34-36-27(38)26(37)35-23-3-1-2-22(32)25(23)33/h1-15H,(H,35,37)(H,36,38) |
| InChIK | ZVNDYGYGDLUWEE-UHFFFAOYSA-N |
| TotalMolweight | 645.281 |
| Molweight | 645.281 |
| MonoisotopicMass | 642.987145 |
| CLogP | 7.4289 |
| CLogS | -9.409 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 452.9 |
| Relative PSA | 0.23535 |
| 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 | 0.5 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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