[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C23H16N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C23H16N3O4F |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c1cccc(F)c1)=O)=O |
| InChI | InChI=1S/C23H16FN3O4/c24-19-6-3-5-17(12-19)23(29)31-20-10-8-16(9-11-20)14-26-27-22(28)15-30-21-7-2-1-4-18(21)13-25/h1-12,14H,15H2,(H,27,28) |
| InChIK | CGBVZIRGQFEFSR-UHFFFAOYSA-N |
| TotalMolweight | 417.395 |
| Molweight | 417.395 |
| MonoisotopicMass | 417.112485 |
| CLogP | 4.1434 |
| CLogS | -6.058 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 326.32 |
| Relative PSA | 0.25316 |
| PolarSurfaceArea | 100.78 |
| Druglikeness | -1.6511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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