Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C14H14NO3F3 | Cheminformatics

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

Molecular Formula : C14H14NO3F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C14H14NO3F3

Smiles : O=C(/C=C/c(cc1)ccc1OC(F)(F)F)N1CCOCC1

InChI : InChI=1S/C14H14F3NO3/c15-14(16,17)21-12-4-1-11(2-5-12)3-6-13(19)18-7-9-20-10-8-18/h1-6H,7-10H2

InChIK : ORPNTVBIKUFTMO-UHFFFAOYSA-N

TotalMolweight : 301.263

Molweight : 301.263

MonoisotopicMass : 301.092578

CLogP : 2.7621

CLogS : -2.719

H Acceptors : 4

TotalSurfaceArea : 218.81

Relative PSA : 0.16722

PolarSurfaceArea : 38.77

Druglikeness : -6.4032

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 6

Amides : 1

StereoCon :

Request More Details | (E)-1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments