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C12H11NO3ClF3 | Cheminformatics

(E)-1-(4-chlorophenyl)-N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoroethanimine

Molecular Formula : C12H11NO3ClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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 :

Request More Details | (E)-1-(4-chlorophenyl)-N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoroethanimine


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