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C20H17N2O3ClF4 | Cheminformatics
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(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C20H17N2O3ClF4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C20H17N2O3ClF4

Smiles : O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1

InChI : InChI=1S/C20H17ClF4N2O3/c21-16-2-1-3-17(22)15(16)5-7-19(28)27-8-9-29-14(11-27)12-30-18-6-4-13(10-26-18)20(23,24)25/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1

InChIK : VVYIFBOTAUAOKK-CQSZACIVSA-N

TotalMolweight : 444.811

Molweight : 444.811

MonoisotopicMass : 444.086382

CLogP : 3.9121

CLogS : -4.582

H Acceptors : 5

TotalSurfaceArea : 311.6

Relative PSA : 0.15263

PolarSurfaceArea : 51.66

Druglikeness : -4.1298

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

Click to Load Molecule:
1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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