[3-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C21H14N2O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C21H14N2O3ClF |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1 |
| InChI | InChI=1S/C21H14ClFN2O3/c22-17-8-4-16(5-9-17)21(27)28-19-3-1-2-14(12-19)13-24-25-20(26)15-6-10-18(23)11-7-15/h1-13H,(H,25,26) |
| InChIK | UOSPYYDYRIXTFZ-UHFFFAOYSA-N |
| TotalMolweight | 396.804 |
| Molweight | 396.804 |
| MonoisotopicMass | 396.067698 |
| CLogP | 5.3389 |
| CLogS | -6.241 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.27 |
| Relative PSA | 0.19931 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.7016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off