(7E)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide
Formula:C27H22N3OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide is not a drug-like molecule.
| MolName | (7E)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide |
| MolecularFormula | C27H22N3OCl3 |
| Smiles | O=C(Nc1cccc(Cl)c1)N(C(C1CCC2)c(cc3)ccc3Cl)N=C1/C2=C/c(cc1)ccc1Cl |
| InChI | InChI=1S/C27H22Cl3N3O/c28-20-11-7-17(8-12-20)15-19-3-1-6-24-25(19)32-33(26(24)18-9-13-21(29)14-10-18)27(34)31-23-5-2-4-22(30)16-23/h2,4-5,7-16,24,26H,1,3,6H2,(H,31,34) |
| InChIK | LRICMGUANWWXTF-UHFFFAOYSA-N |
| TotalMolweight | 510.851 |
| Molweight | 510.851 |
| MonoisotopicMass | 509.082843 |
| CLogP | 7.6684 |
| CLogS | -8.296 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 365.51 |
| Relative PSA | 0.10823 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 1.0478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (7E)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide | 2 - (7E)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide
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