[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
Formula:C19H13N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate |
| MolecularFormula | C19H13N4O3Cl |
| Smiles | O=C(c1nccnc1)N/N=C\c(cc1)ccc1OC(c1cccc(Cl)c1)=O |
| InChI | InChI=1S/C19H13ClN4O3/c20-15-3-1-2-14(10-15)19(26)27-16-6-4-13(5-7-16)11-23-24-18(25)17-12-21-8-9-22-17/h1-12H,(H,24,25) |
| InChIK | LGYRVZZUKBZSON-UHFFFAOYSA-N |
| TotalMolweight | 380.79 |
| Molweight | 380.79 |
| MonoisotopicMass | 380.067618 |
| CLogP | 3.2903 |
| CLogS | -4.361 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 287.44 |
| Relative PSA | 0.28176 |
| PolarSurfaceArea | 93.54 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate | 2 - [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
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