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

C19H17N2O3Cl2F | Cheminformatics
Menu

(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one

Molecular Formula : C19H17N2O3Cl2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one

MolecularFormula : C19H17N2O3Cl2F

Smiles : O=C(/C=C/c(c(F)ccc1)c1Cl)N1CC(COc2cccnc2Cl)OCC1

InChI : InChI=1S/C19H17Cl2FN2O3/c20-15-3-1-4-16(22)14(15)6-7-18(25)24-9-10-26-13(11-24)12-27-17-5-2-8-23-19(17)21/h1-8,13H,9-12H2/t13-/m1/s1

InChIK : MIEZGTKPHDDKSX-CYBMUJFWSA-N

TotalMolweight : 411.259

Molweight : 411.259

MonoisotopicMass : 410.060025

CLogP : 3.4158

CLogS : -3.778

H Acceptors : 5

TotalSurfaceArea : 297.56

Relative PSA : 0.15983

PolarSurfaceArea : 51.66

Druglikeness : 1.7202

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59259

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

Click to Load Molecule:
1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (E)-3-(2-chloro-6-fluorophenyl)-1-[2-[(2-chloropyridin-3-yl)oxymethyl]morpholin-4-yl]prop-2-en-1-one


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