2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenolate
Formula:C20H13N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenolate |
| MolecularFormula | C20H13N3O3Cl |
| Smiles | [O-]c(c(/C=N\N=C(c1ccccc1)c1ccccc1)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C20H14ClN3O3/c21-17-11-16(20(25)18(12-17)24(26)27)13-22-23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,25H/p-1 |
| InChIK | YKMRKZMSHWYXKJ-UHFFFAOYSA-M |
| TotalMolweight | 378.794 |
| Molweight | 378.794 |
| MonoisotopicMass | 378.064544 |
| CLogP | 3.743 |
| CLogS | -6.808 |
| H Acceptors | 6 |
| TotalSurfaceArea | 287.13 |
| Relative PSA | 0.23585 |
| PolarSurfaceArea | 93.6 |
| Druglikeness | -3.5242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenolate | 2 - 2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenolate
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