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C17H17N4O3F3 | Cheminformatics
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(E)-3-(1H-imidazol-5-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C17H17N4O3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(1H-imidazol-5-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C17H17N4O3F3

Smiles : O=C(/C=C/c1cnc[nH]1)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1

InChI : InChI=1S/C17H17F3N4O3/c18-17(19,20)12-1-3-15(22-7-12)27-10-14-9-24(5-6-26-14)16(25)4-2-13-8-21-11-23-13/h1-4,7-8,11,14H,5-6,9-10H2,(H,21,23)/t14-/m1/s1

InChIK : GSTBXPIENWOOJU-CQSZACIVSA-N

TotalMolweight : 382.341

Molweight : 382.341

MonoisotopicMass : 382.125275

CLogP : 1.4195

CLogS : -2.371

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 278.16

Relative PSA : 0.26071

PolarSurfaceArea : 80.34

Druglikeness : -3.3432

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 10

Electronegative Atoms : 10

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 : 3

BasicNitrogens : 1

StereoCon : racemate

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