furan-2-yl-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C25H20N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
furan-2-yl-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is a drug-like molecule.
| MolName | furan-2-yl-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C25H20N4O6 |
| Smiles | [O-][N+](c1ccc(C(C2CCC3)N(C(c4ccco4)=O)N=C2/C3=C/c(cc2)ccc2[N+]([O-])=O)cc1)=O |
| InChI | InChI=1S/C25H20N4O6/c30-25(22-5-2-14-35-22)27-24(17-8-12-20(13-9-17)29(33)34)21-4-1-3-18(23(21)26-27)15-16-6-10-19(11-7-16)28(31)32/h2,5-15,21,24H,1,3-4H2 |
| InChIK | MAXCGEGAVSAXDP-UHFFFAOYSA-N |
| TotalMolweight | 472.456 |
| Molweight | 472.456 |
| MonoisotopicMass | 472.138286 |
| CLogP | 3.202 |
| CLogS | -6.174 |
| H Acceptors | 10 |
| TotalSurfaceArea | 344.82 |
| Relative PSA | 0.29885 |
| PolarSurfaceArea | 137.45 |
| Druglikeness | -4.3601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - furan-2-yl-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - furan-2-yl-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
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