[3-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C28H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C28H22N2O4 |
| Smiles | O=C([C@H](C1)C1(c1ccccc1)c1ccccc1)N/N=C\c1cccc(OC(c2ccco2)=O)c1 |
| InChI | InChI=1S/C28H22N2O4/c31-26(24-18-28(24,21-10-3-1-4-11-21)22-12-5-2-6-13-22)30-29-19-20-9-7-14-23(17-20)34-27(32)25-15-8-16-33-25/h1-17,19,24H,18H2,(H,30,31)/t24-/m0/s1 |
| InChIK | KEBSDTRLTNRNMA-DEOSSOPVSA-N |
| TotalMolweight | 450.493 |
| Molweight | 450.493 |
| MonoisotopicMass | 450.157958 |
| CLogP | 5.427 |
| CLogS | -5.854 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 347.12 |
| Relative PSA | 0.21076 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 5.4955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [3-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [3-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off