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C18H17N2O4Br | Cheminformatics

4-bromo-N-[(E)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

Molecular Formula : C18H17N2O4Br | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
4-bromo-N-[(E)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName : 4-bromo-N-[(E)-1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

MolecularFormula : C18H17N2O4Br

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

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

InChIK : JQXNVABHTRXBEB-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 : 2.8097

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.52

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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