furan-2-yl-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C21H18N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
furan-2-yl-[(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 | furan-2-yl-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C21H18N2O4 |
| Smiles | O=C(c1ccco1)N(C(C1CCC2)c3ccco3)N=C1/C2=C/c1ccco1 |
| InChI | InChI=1S/C21H18N2O4/c24-21(18-9-4-12-27-18)23-20(17-8-3-11-26-17)16-7-1-5-14(19(16)22-23)13-15-6-2-10-25-15/h2-4,6,8-13,16,20H,1,5,7H2 |
| InChIK | ADTFECBIJLPTKY-UHFFFAOYSA-N |
| TotalMolweight | 362.384 |
| Molweight | 362.384 |
| MonoisotopicMass | 362.126658 |
| CLogP | 3.4226 |
| CLogS | -4.618 |
| H Acceptors | 6 |
| TotalSurfaceArea | 276.86 |
| Relative PSA | 0.25439 |
| PolarSurfaceArea | 72.09 |
| Druglikeness | 0.64395 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - furan-2-yl-[(7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - furan-2-yl-[(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