| MolName | [(Z)-[5-(2,4-difluorophenyl)furan-2-yl]methylideneamino] 4-chlorobenzoate |
| MolecularFormula | C18H10NO3ClF2 |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C\c1ccc(-c(ccc(F)c2)c2F)o1 |
| InChI | InChI=1S/C18H10ClF2NO3/c19-12-3-1-11(2-4-12)18(23)25-22-10-14-6-8-17(24-14)15-7-5-13(20)9-16(15)21/h1-10H |
| InChIK | HWFTWDFVSGIFJA-UHFFFAOYSA-N |
| TotalMolweight | 361.73 |
| Molweight | 361.73 |
| MonoisotopicMass | 361.031727 |
| CLogP | 5.6646 |
| CLogS | -6.595 |
| H Acceptors | 4 |
| TotalSurfaceArea | 263.1 |
| Relative PSA | 0.18495 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -2.2979 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(Z)-[5-(2,4-difluorophenyl)furan-2-yl]methylideneamino] 4-chlorobenzoate | 2 - [(Z)-[5-(2,4-difluorophenyl)furan-2-yl]methylideneamino] 4-chlorobenzoate