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C18H17N2O4Br | Cheminformatics
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N-[(Z)-1-(4-bromophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Molecular Formula : C18H17N2O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : low |
N-[(Z)-1-(4-bromophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

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

MolecularFormula : C18H17N2O4Br

Smiles : O=C(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Br)N1CCOCC1

InChI : InChI=1S/C18H17BrN2O4/c19-14-5-3-13(4-6-14)12-15(18(23)21-7-10-24-11-8-21)20-17(22)16-2-1-9-25-16/h1-6,9,12H,7-8,10-11H2,(H,20,22)

InChIK : NBAQMXUFKQCQSW-UHFFFAOYSA-N

TotalMolweight : 405.247

Molweight : 405.247

MonoisotopicMass : 404.037169

CLogP : 2.8645

CLogS : -3.587

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 274.85

Relative PSA : 0.23722

PolarSurfaceArea : 71.78

Druglikeness : 2.9278

Mutagenic : none

Tumorigenic : none

Reproductive Effective : low

Irritant : none

Nasty Functions :

Shape Index : 0.48

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 5

Symmetricatoms : 4

Amides : 2

StereoCon :

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