(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C30H22N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.
| MolName | (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C30H22N4O5 |
| Smiles | [O-][N+](c1cc(/C=C2/c3nc4ccccc4c(C(OCc4nnc(-c5ccccc5)o4)=O)c3CCC2)ccc1)=O |
| InChI | InChI=1S/C30H22N4O5/c35-30(38-18-26-32-33-29(39-26)20-9-2-1-3-10-20)27-23-13-4-5-15-25(23)31-28-21(11-7-14-24(27)28)16-19-8-6-12-22(17-19)34(36)37/h1-6,8-10,12-13,15-17H,7,11,14,18H2 |
| InChIK | SVIITUVOBZKRKZ-UHFFFAOYSA-N |
| TotalMolweight | 518.528 |
| Molweight | 518.528 |
| MonoisotopicMass | 518.159021 |
| CLogP | 4.8073 |
| CLogS | -7.737 |
| H Acceptors | 9 |
| TotalSurfaceArea | 390.78 |
| Relative PSA | 0.25713 |
| PolarSurfaceArea | 123.93 |
| Druglikeness | -6.881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate | 2 - (5-phenyl-1,3,4-oxadiazol-2-yl)methyl (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
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