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C18H17N3O6 | Cheminformatics
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N-[(Z)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Molecular Formula : C18H17N3O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

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

MolecularFormula : C18H17N3O6

Smiles : [O-][N+](c1ccc(/C=C(/C(N2CCOCC2)=O)\NC(c2ccco2)=O)cc1)=O

InChI : InChI=1S/C18H17N3O6/c22-17(16-2-1-9-27-16)19-15(18(23)20-7-10-26-11-8-20)12-13-3-5-14(6-4-13)21(24)25/h1-6,9,12H,7-8,10-11H2,(H,19,22)

InChIK : SVAJHNUFWYCBSS-UHFFFAOYSA-N

TotalMolweight : 371.348

Molweight : 371.348

MonoisotopicMass : 371.111737

CLogP : 1.2177

CLogS : -3.213

H Acceptors : 9

H Donors : 1

TotalSurfaceArea : 279.89

Relative PSA : 0.34163

PolarSurfaceArea : 117.6

Druglikeness : -0.26593

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.48148

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 2

AcidicOxygens : 1

StereoCon :

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