[3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
Formula:C26H16N4O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C26H16N4O5Cl2 |
| Smiles | O=C(c1nccnc1)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C26H16Cl2N4O5/c27-19-6-1-16(2-7-19)25(34)36-21-10-5-18(14-31-32-24(33)22-15-29-11-12-30-22)23(13-21)37-26(35)17-3-8-20(28)9-4-17/h1-15H,(H,32,33) |
| InChIK | ISCQQFKXOHAEKS-UHFFFAOYSA-N |
| TotalMolweight | 535.342 |
| Molweight | 535.342 |
| MonoisotopicMass | 534.049775 |
| CLogP | 5.3268 |
| CLogS | -6.567 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 390.37 |
| Relative PSA | 0.26649 |
| PolarSurfaceArea | 119.84 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
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