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C18H19N3O5 | Cheminformatics
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(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

Molecular Formula : C18H19N3O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one

MolecularFormula : C18H19N3O5

Smiles : O=C(/C=C/c1cnc[nH]1)N1CC(COc(cc2)cc3c2OCO3)OCC1

InChI : InChI=1S/C18H19N3O5/c22-18(4-1-13-8-19-11-20-13)21-5-6-23-15(9-21)10-24-14-2-3-16-17(7-14)26-12-25-16/h1-4,7-8,11,15H,5-6,9-10,12H2,(H,19,20)/t15-/m1/s1

InChIK : UQXNVRPQJRRJAK-OAHLLOKOSA-N

TotalMolweight : 357.365

Molweight : 357.365

MonoisotopicMass : 357.132472

CLogP : 1.3321

CLogS : -2.574

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 270.2

Relative PSA : 0.30181

PolarSurfaceArea : 85.91

Druglikeness : 3.8227

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 8

Electronegative Atoms : 8

StereoCenters : 1

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 10

Amides : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon : racemate

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1 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
2 - (E)-1-[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-3-(1H-imidazol-5-yl)prop-2-en-1-one
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