(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C15H16N2O5F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[2-(difluoromethoxy)-5-nitrophenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H16N2O5F2 |
| Smiles | [O-][N+](c(cc1)cc(/C=C/C(NCC2OCCC2)=O)c1OC(F)F)=O |
| InChI | InChI=1S/C15H16F2N2O5/c16-15(17)24-13-5-4-11(19(21)22)8-10(13)3-6-14(20)18-9-12-2-1-7-23-12/h3-6,8,12,15H,1-2,7,9H2,(H,18,20)/t12-/m1/s1 |
| InChIK | PFLHPMKTVAGYAD-GFCCVEGCSA-N |
| TotalMolweight | 342.297 |
| Molweight | 342.297 |
| MonoisotopicMass | 342.102729 |
| CLogP | 0.9752 |
| CLogS | -3.758 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 251.88 |
| Relative PSA | 0.29744 |
| PolarSurfaceArea | 93.38 |
| Druglikeness | -8.5689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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