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C16H16N5O3F3 | Cheminformatics
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(E)-3-(1H-imidazol-5-yl)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C16H16N5O3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(1H-imidazol-5-yl)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(1H-imidazol-5-yl)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C16H16N5O3F3

Smiles : O=C(/C=C/c1cnc[nH]1)N1CC(COc2ccnc(C(F)(F)F)n2)OCC1

InChI : InChI=1S/C16H16F3N5O3/c17-16(18,19)15-21-4-3-13(23-15)27-9-12-8-24(5-6-26-12)14(25)2-1-11-7-20-10-22-11/h1-4,7,10,12H,5-6,8-9H2,(H,20,22)/t12-/m1/s1

InChIK : HUQFWRMOEBDQCP-GFCCVEGCSA-N

TotalMolweight : 383.329

Molweight : 383.329

MonoisotopicMass : 383.120524

CLogP : 0.7467

CLogS : -1.446

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 276.92

Relative PSA : 0.30149

PolarSurfaceArea : 93.23

Druglikeness : -3.3432

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59259

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 11

Electronegative Atoms : 11

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 4

BasicNitrogens : 1

StereoCon : racemate

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1 - (E)-3-(1H-imidazol-5-yl)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-(1H-imidazol-5-yl)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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