[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] cyclopropanecarboxylate
Formula:C11H9NO2ClF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(3-chloro-4-fluorophenyl)methylideneamino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(Z)-(3-chloro-4-fluorophenyl)methylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C11H9NO2ClF |
| Smiles | O=C(C1CC1)O/N=C\c(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C11H9ClFNO2/c12-9-5-7(1-4-10(9)13)6-14-16-11(15)8-2-3-8/h1,4-6,8H,2-3H2 |
| InChIK | QDWSDXCXCLRYJN-UHFFFAOYSA-N |
| TotalMolweight | 241.648 |
| Molweight | 241.648 |
| MonoisotopicMass | 241.030584 |
| CLogP | 3.4992 |
| CLogS | -4.167 |
| H Acceptors | 3 |
| TotalSurfaceArea | 174.06 |
| Relative PSA | 0.19849 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -3.0172 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| StereoCon |
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