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C19H17N2O3BrClF | Cheminformatics
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(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C19H17N2O3BrClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C19H17N2O3BrClF

Smiles : O=C(/C=C/c(cc1)cc(Br)c1F)N1CC(COc(cccn2)c2Cl)OCC1

InChI : InChI=1S/C19H17BrClFN2O3/c20-15-10-13(3-5-16(15)22)4-6-18(25)24-8-9-26-14(11-24)12-27-17-2-1-7-23-19(17)21/h1-7,10,14H,8-9,11-12H2/t14-/m1/s1

InChIK : NJUSGOFOODBSQN-CQSZACIVSA-N

TotalMolweight : 455.71

Molweight : 455.71

MonoisotopicMass : 454.009509

CLogP : 3.535

CLogS : -3.876

H Acceptors : 5

TotalSurfaceArea : 300.77

Relative PSA : 0.15813

PolarSurfaceArea : 51.66

Druglikeness : -0.069793

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Amides : 1

Aromatic Nitrogens : 1

StereoCon : racemate

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1 - (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-(3-bromo-4-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
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