(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenylethanol
Formula:C20H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenylethanol is a drug-like molecule.
| MolName | (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenylethanol |
| MolecularFormula | C20H16N4O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C(c1ccccc1)O)\c1ccccc1)=O |
| InChI | InChI=1S/C20H16N4O5/c25-20(15-9-5-2-6-10-15)19(14-7-3-1-4-8-14)22-21-17-12-11-16(23(26)27)13-18(17)24(28)29/h1-13,20-21,25H/t20-/m1/s1 |
| InChIK | QVKWDKPHEMCSMJ-HXUWFJFHSA-N |
| TotalMolweight | 392.37 |
| Molweight | 392.37 |
| MonoisotopicMass | 392.112071 |
| CLogP | 3.3074 |
| CLogS | -5.016 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 293.4 |
| Relative PSA | 0.3303 |
| PolarSurfaceArea | 136.26 |
| Druglikeness | -3.5716 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenylethanol | 2 - (2E)-2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenylethanol
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