3-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
Formula:C23H17N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide is a drug-like molecule.
| MolName | 3-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide |
| MolecularFormula | C23H17N4O2F |
| Smiles | O=C(C(c1c2cccc1)=NN(Cc1ccccc1)C2=O)N/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C23H17FN4O2/c24-20-13-7-4-10-17(20)14-25-26-22(29)21-18-11-5-6-12-19(18)23(30)28(27-21)15-16-8-2-1-3-9-16/h1-14H,15H2,(H,26,29) |
| InChIK | JFOVUFVLBOPSCA-UHFFFAOYSA-N |
| TotalMolweight | 400.412 |
| Molweight | 400.412 |
| MonoisotopicMass | 400.133554 |
| CLogP | 3.7829 |
| CLogS | -5.694 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.38 |
| Relative PSA | 0.21062 |
| PolarSurfaceArea | 74.13 |
| Druglikeness | 6.1345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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