[1-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C23H15N4O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate is a drug-like molecule.
| MolName | [1-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C23H15N4O3Cl |
| Smiles | O=C(c1nccnc1)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C23H15ClN4O3/c24-17-8-5-16(6-9-17)23(30)31-21-10-7-15-3-1-2-4-18(15)19(21)13-27-28-22(29)20-14-25-11-12-26-20/h1-14H,(H,28,29) |
| InChIK | IOCGLBQMPKOATR-UHFFFAOYSA-N |
| TotalMolweight | 430.85 |
| Molweight | 430.85 |
| MonoisotopicMass | 430.083268 |
| CLogP | 4.4847 |
| CLogS | -5.967 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 322.04 |
| Relative PSA | 0.25149 |
| PolarSurfaceArea | 93.54 |
| Druglikeness | 4.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [1-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
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