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C17H17N3O3F2 | Cheminformatics
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(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

Molecular Formula : C17H17N3O3F2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

MolecularFormula : C17H17N3O3F2

Smiles : O=C(/C=C/c1cnc[nH]1)N1CC(COc(cc(cc2)F)c2F)OCC1

InChI : InChI=1S/C17H17F2N3O3/c18-12-1-3-15(19)16(7-12)25-10-14-9-22(5-6-24-14)17(23)4-2-13-8-20-11-21-13/h1-4,7-8,11,14H,5-6,9-10H2,(H,20,21)/t14-/m1/s1

InChIK : GHDGJKPHWPHTEL-CQSZACIVSA-N

TotalMolweight : 349.336

Molweight : 349.336

MonoisotopicMass : 349.123798

CLogP : 1.4223

CLogS : -2.491

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 262.64

Relative PSA : 0.23435

PolarSurfaceArea : 67.45

Druglikeness : 2.5068

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 7

Amides : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon : racemate

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1 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
2 - (E)-1-[2-[(2,5-difluorophenoxy)methyl]morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
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