[(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino] 3-(4-fluorophenoxy)propanoate
Formula:C14H12N3O6F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino] 3-(4-fluorophenoxy)propanoate is a drug-like molecule.
| MolName | [(E)-[amino-(5-nitrofuran-2-yl)methylidene]amino] 3-(4-fluorophenoxy)propanoate |
| MolecularFormula | C14H12N3O6F |
| Smiles | N/C(/c1ccc([N+]([O-])=O)o1)=N/OC(CCOc(cc1)ccc1F)=O |
| InChI | InChI=1S/C14H12FN3O6/c15-9-1-3-10(4-2-9)22-8-7-13(19)24-17-14(16)11-5-6-12(23-11)18(20)21/h1-6H,7-8H2,(H2,16,17) |
| InChIK | WUISURQUMKJEKX-UHFFFAOYSA-N |
| TotalMolweight | 337.262 |
| Molweight | 337.262 |
| MonoisotopicMass | 337.071015 |
| CLogP | 1.8207 |
| CLogS | -4.567 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 249.49 |
| Relative PSA | 0.41825 |
| PolarSurfaceArea | 132.87 |
| Druglikeness | -7.8512 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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