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C21H20NO3F3 | Cheminformatics

(E)-1-morpholin-4-yl-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-en-1-one

Molecular Formula : C21H20NO3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-morpholin-4-yl-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-morpholin-4-yl-3-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]prop-2-en-1-one

MolecularFormula : C21H20NO3F3

Smiles : O=C(/C=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1)N1CCOCC1

InChI : InChI=1S/C21H20F3NO3/c22-21(23,24)18-7-4-17(5-8-18)15-28-19-3-1-2-16(14-19)6-9-20(26)25-10-12-27-13-11-25/h1-9,14H,10-13,15H2

InChIK : XNIHQTQMUHTDQQ-UHFFFAOYSA-N

TotalMolweight : 391.388

Molweight : 391.388

MonoisotopicMass : 391.139528

CLogP : 3.8595

CLogS : -3.815

H Acceptors : 4

TotalSurfaceArea : 292.33

Relative PSA : 0.12517

PolarSurfaceArea : 38.77

Druglikeness : -5.5932

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.64286

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 6

Amides : 1

StereoCon :

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