(4-fluorophenyl)-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C23H19N2O3F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(4-fluorophenyl)-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is a drug-like molecule.
| MolName | (4-fluorophenyl)-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C23H19N2O3F |
| Smiles | O=C(c(cc1)ccc1F)N(C(C1CCC2)c3ccco3)N=C1/C2=C/c1ccco1 |
| InChI | InChI=1S/C23H19FN2O3/c24-17-10-8-15(9-11-17)23(27)26-22(20-7-3-13-29-20)19-6-1-4-16(21(19)25-26)14-18-5-2-12-28-18/h2-3,5,7-14,19,22H,1,4,6H2 |
| InChIK | SFQIHCSXNOJYNJ-UHFFFAOYSA-N |
| TotalMolweight | 390.413 |
| Molweight | 390.413 |
| MonoisotopicMass | 390.137971 |
| CLogP | 4.3347 |
| CLogS | -5.25 |
| H Acceptors | 5 |
| TotalSurfaceArea | 293.52 |
| Relative PSA | 0.19188 |
| PolarSurfaceArea | 58.95 |
| Druglikeness | -0.95848 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (4-fluorophenyl)-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - (4-fluorophenyl)-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off