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

Formula:C20H18N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(E)-3-morpholin-4-yl-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C20H18N3O5Br
Smiles	[O-][N+](c1ccc(/C=C(\C(N2CCOCC2)=O)/NC(c(cccc2)c2Br)=O)cc1)=O
InChI	InChI=1S/C20H18BrN3O5/c21-17-4-2-1-3-16(17)19(25)22-18(20(26)23-9-11-29-12-10-23)13-14-5-7-15(8-6-14)24(27)28/h1-8,13H,9-12H2,(H,22,25)
InChIK	LNKUWASDESNLSI-UHFFFAOYSA-N
TotalMolweight	460.283
Molweight	460.283
MonoisotopicMass	459.042983
CLogP	2.7542
CLogS	-4.365
H Acceptors	8
H Donors	1
TotalSurfaceArea	308.83
Relative PSA	0.26393
PolarSurfaceArea	104.46
Druglikeness	-1.9745
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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