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C20H20N2O4 | Cheminformatics
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(E)-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide

Molecular Formula : C20H20N2O4 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
(E)-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide is a drug-like molecule.

MolName : (E)-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide

MolecularFormula : C20H20N2O4

Smiles : O=C(/C=C/c1ccccc1)N/C(/C(N1CCOCC1)=O)=C\c1ccco1

InChI : InChI=1S/C20H20N2O4/c23-19(9-8-16-5-2-1-3-6-16)21-18(15-17-7-4-12-26-17)20(24)22-10-13-25-14-11-22/h1-9,12,15H,10-11,13-14H2,(H,21,23)

InChIK : LBONNUXPFRSDOL-UHFFFAOYSA-N

TotalMolweight : 352.389

Molweight : 352.389

MonoisotopicMass : 352.142308

CLogP : 2.4685

CLogS : -3.123

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 282.72

Relative PSA : 0.23062

PolarSurfaceArea : 71.78

Druglikeness : 3.2677

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.53846

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 5

Symmetricatoms : 4

Amides : 2

StereoCon :

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1 - (E)-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
2 - (E)-N-[(Z)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
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