6-(4-chlorophenyl)-7-[(Z)-(4-chlorophenyl)methylideneamino]-3,8-dioxo-2-phenylpyrido[3,4-c]pyridazine-4-carbonitrile
Formula:C27H15N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-(4-chlorophenyl)-7-[(Z)-(4-chlorophenyl)methylideneamino]-3,8-dioxo-2-phenylpyrido[3,4-c]pyridazine-4-carbonitrile is not a drug-like molecule.
| MolName | 6-(4-chlorophenyl)-7-[(Z)-(4-chlorophenyl)methylideneamino]-3,8-dioxo-2-phenylpyrido[3,4-c]pyridazine-4-carbonitrile |
| MolecularFormula | C27H15N5O2Cl2 |
| Smiles | N#CC1=C(C=C(c(cc2)ccc2Cl)N(C2=O)/N=C\c(cc3)ccc3Cl)C2=NN(c2ccccc2)C1=O |
| InChI | InChI=1S/C27H15Cl2N5O2/c28-19-10-6-17(7-11-19)16-31-34-24(18-8-12-20(29)13-9-18)14-22-23(15-30)26(35)33(32-25(22)27(34)36)21-4-2-1-3-5-21/h1-14,16H |
| InChIK | RHOAOLUXUXEVQR-UHFFFAOYSA-N |
| TotalMolweight | 512.355 |
| Molweight | 512.355 |
| MonoisotopicMass | 511.060279 |
| CLogP | 5.3455 |
| CLogS | -6.441 |
| H Acceptors | 7 |
| TotalSurfaceArea | 369.79 |
| Relative PSA | 0.18865 |
| PolarSurfaceArea | 89.13 |
| Druglikeness | 1.4436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 6-(4-chlorophenyl)-7-[(Z)-(4-chlorophenyl)methylideneamino]-3,8-dioxo-2-phenylpyrido[3,4-c]pyridazine-4-carbonitrile | 2 - 6-(4-chlorophenyl)-7-[(Z)-(4-chlorophenyl)methylideneamino]-3,8-dioxo-2-phenylpyrido[3,4-c]pyridazine-4-carbonitrile
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