[3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C22H15N3O6BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C22H15N3O6BrF |
| Smiles | [O-][N+](c(cc1)cc(Br)c1OCC(N/N=C\c1cc(OC(c2cc(F)ccc2)=O)ccc1)=O)=O |
| InChI | InChI=1S/C22H15BrFN3O6/c23-19-11-17(27(30)31)7-8-20(19)32-13-21(28)26-25-12-14-3-1-6-18(9-14)33-22(29)15-4-2-5-16(24)10-15/h1-12H,13H2,(H,26,28) |
| InChIK | DKBCKNJQXDKQSJ-UHFFFAOYSA-N |
| TotalMolweight | 516.278 |
| Molweight | 516.278 |
| MonoisotopicMass | 515.012826 |
| CLogP | 4.1114 |
| CLogS | -6.579 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 346.91 |
| Relative PSA | 0.28673 |
| PolarSurfaceArea | 122.81 |
| Druglikeness | -4.2159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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