[(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(4-fluorophenoxy)propanoate
Formula:C16H14N2O3ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(4-fluorophenoxy)propanoate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(4-fluorophenoxy)propanoate |
| MolecularFormula | C16H14N2O3ClF |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(CCOc(cc1)ccc1F)=O |
| InChI | InChI=1S/C16H14ClFN2O3/c17-12-3-1-11(2-4-12)16(19)20-23-15(21)9-10-22-14-7-5-13(18)6-8-14/h1-8H,9-10H2,(H2,19,20) |
| InChIK | YRKOZNXGWBAZLD-UHFFFAOYSA-N |
| TotalMolweight | 336.749 |
| Molweight | 336.749 |
| MonoisotopicMass | 336.067698 |
| CLogP | 3.8082 |
| CLogS | -4.636 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.55 |
| Relative PSA | 0.23781 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -5.3073 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(4-fluorophenoxy)propanoate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 3-(4-fluorophenoxy)propanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off