MolName : (E)-1-(4-chlorophenyl)-N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoroethanimine |
MolecularFormula : C12H11NO3ClF3 |
Smiles : FC(/C(/c(cc1)ccc1Cl)=N/OCC1OCCO1)(F)F |
InChI : InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2 |
InChIK : UKSLKNUCVPZQCQ-UHFFFAOYSA-N |
TotalMolweight : 309.67 |
Molweight : 309.67 |
MonoisotopicMass : 309.037955 |
CLogP : 3.0832 |
CLogS : -4.164 |
H Acceptors : 4 |
TotalSurfaceArea : 211.39 |
Relative PSA : 0.19637 |
PolarSurfaceArea : 40.05 |
Druglikeness : -14.608 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 8 |
Symmetricatoms : 6 |
StereoCon : |