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C19H18N2O6 | Cheminformatics
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N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Molecular Formula : C19H18N2O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName : N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide

MolecularFormula : C19H18N2O6

Smiles : O=C(/C(/NC(c1ccco1)=O)=C/c(cc1)cc2c1OCO2)N1CCOCC1

InChI : InChI=1S/C19H18N2O6/c22-18(16-2-1-7-25-16)20-14(19(23)21-5-8-24-9-6-21)10-13-3-4-15-17(11-13)27-12-26-15/h1-4,7,10-11H,5-6,8-9,12H2,(H,20,22)

InChIK : PPKYOXBAKYIJQR-UHFFFAOYSA-N

TotalMolweight : 370.36

Molweight : 370.36

MonoisotopicMass : 370.116488

CLogP : 2.2507

CLogS : -3.464

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 276.48

Relative PSA : 0.30816

PolarSurfaceArea : 90.24

Druglikeness : 4.705

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.44444

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 2

StereoCon :

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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide
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