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C21H20N3O3Cl | Cheminformatics

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

Molecular Formula : C21H20N3O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C21H20N3O3Cl

Smiles : O=C(/C=C/c1c[nH]c2c1cccc2)N1CC(COc2cccnc2Cl)OCC1

InChI : InChI=1S/C21H20ClN3O3/c22-21-19(6-3-9-23-21)28-14-16-13-25(10-11-27-16)20(26)8-7-15-12-24-18-5-2-1-4-17(15)18/h1-9,12,16,24H,10-11,13-14H2/t16-/m1/s1

InChIK : UCPFANIASYLSLY-MRXNPFEDSA-N

TotalMolweight : 397.861

Molweight : 397.861

MonoisotopicMass : 397.119319

CLogP : 2.7484

CLogS : -3.253

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 299.96

Relative PSA : 0.20519

PolarSurfaceArea : 67.45

Druglikeness : 3.305

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.60714

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 7

Electronegative Atoms : 7

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 7

Amides : 1

Aromatic Nitrogens : 2

StereoCon : racemate

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