[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate
Formula:C19H12N2O2ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate |
| MolecularFormula | C19H12N2O2ClF |
| Smiles | O=C(c(cc1)ccc1F)O/N=C(/c(cc1)ccc1Cl)\c1ccncc1 |
| InChI | InChI=1S/C19H12ClFN2O2/c20-16-5-1-13(2-6-16)18(14-9-11-22-12-10-14)23-25-19(24)15-3-7-17(21)8-4-15/h1-12H |
| InChIK | HVBJLYLHCYSWCL-UHFFFAOYSA-N |
| TotalMolweight | 354.767 |
| Molweight | 354.767 |
| MonoisotopicMass | 354.057133 |
| CLogP | 4.8207 |
| CLogS | -5.802 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.03 |
| Relative PSA | 0.1724 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -3.8397 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate | 2 - [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 4-fluorobenzoate
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