3-benzyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
Formula:C23H16N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-benzyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide |
| MolecularFormula | C23H16N4O2Cl2 |
| Smiles | O=C(C(c1c2cccc1)=NN(Cc1ccccc1)C2=O)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C23H16Cl2N4O2/c24-19-11-6-12-20(25)18(19)13-26-27-22(30)21-16-9-4-5-10-17(16)23(31)29(28-21)14-15-7-2-1-3-8-15/h1-13H,14H2,(H,27,30) |
| InChIK | KHJKXLCEUZVFJM-UHFFFAOYSA-N |
| TotalMolweight | 451.312 |
| Molweight | 451.312 |
| MonoisotopicMass | 450.06503 |
| CLogP | 4.8941 |
| CLogS | -6.852 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.87 |
| Relative PSA | 0.19494 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 7.4798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 3-benzyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide | 2 - 3-benzyl-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
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