[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C22H15N2O4BrClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C22H15N2O4BrClF |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1cc(OC(c2cc(F)ccc2)=O)ccc1 |
| InChI | InChI=1S/C22H15BrClFN2O4/c23-19-11-16(24)7-8-20(19)30-13-21(28)27-26-12-14-3-1-6-18(9-14)31-22(29)15-4-2-5-17(25)10-15/h1-12H,13H2,(H,27,28) |
| InChIK | MXNWNLISYWBADX-UHFFFAOYSA-N |
| TotalMolweight | 505.726 |
| Molweight | 505.726 |
| MonoisotopicMass | 503.988774 |
| CLogP | 5.639 |
| CLogS | -6.855 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.66 |
| Relative PSA | 0.20389 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 0.89063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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