[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C30H20N3O6Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C30H20N3O6Cl2F |
| Smiles | O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C30H20Cl2FN3O6/c31-22-8-1-19(2-9-22)29(39)41-25-14-7-21(26(15-25)42-30(40)20-3-10-23(32)11-4-20)16-35-36-27(37)17-34-28(38)18-5-12-24(33)13-6-18/h1-16H,17H2,(H,34,38)(H,36,37) |
| InChIK | FGDDNVYJVUUPFE-UHFFFAOYSA-N |
| TotalMolweight | 608.408 |
| Molweight | 608.408 |
| MonoisotopicMass | 607.071319 |
| CLogP | 6.4591 |
| CLogS | -8.214 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 442.17 |
| Relative PSA | 0.24106 |
| PolarSurfaceArea | 123.16 |
| Druglikeness | 3.7616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54762 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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