2-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]-4,6-dinitrophenolate
Formula:C23H17N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]-4,6-dinitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]-4,6-dinitrophenolate |
| MolecularFormula | C23H17N4O6 |
| Smiles | [O-]c(c(/C=N\NC([C@H](C1)C1(c1ccccc1)c1ccccc1)=O)cc([N+]([O-])=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C23H18N4O6/c28-21-15(11-18(26(30)31)12-20(21)27(32)33)14-24-25-22(29)19-13-23(19,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,19,28H,13H2,(H,25,29)/p-1/t19-/m0/s1 |
| InChIK | HOGVLFCOGUKARR-IBGZPJMESA-M |
| TotalMolweight | 445.41 |
| Molweight | 445.41 |
| MonoisotopicMass | 445.114811 |
| CLogP | 1.0409 |
| CLogS | -5.326 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 324.79 |
| Relative PSA | 0.34216 |
| PolarSurfaceArea | 156.16 |
| Druglikeness | 0.46413 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| AcidicOxygens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 2-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]-4,6-dinitrophenolate | 2 - 2-[(Z)-[[(1R)-2,2-diphenylcyclopropanecarbonyl]hydrazinylidene]methyl]-4,6-dinitrophenolate
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