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

Formula:C21H19N2O5Br 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]-4-bromobenzamide is a drug-like molecule.

MolName	N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-bromobenzamide
MolecularFormula	C21H19N2O5Br
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C/c(cc1)cc2c1OCO2)N1CCOCC1
InChI	InChI=1S/C21H19BrN2O5/c22-16-4-2-15(3-5-16)20(25)23-17(21(26)24-7-9-27-10-8-24)11-14-1-6-18-19(12-14)29-13-28-18/h1-6,11-12H,7-10,13H2,(H,23,25)
InChIK	GJDVCIMZYFYJSE-UHFFFAOYSA-N
TotalMolweight	459.295
Molweight	459.295
MonoisotopicMass	458.047734
CLogP	3.7872
CLogS	-4.616
H Acceptors	7
H Donors	1
TotalSurfaceArea	305.42
Relative PSA	0.23276
PolarSurfaceArea	77.1
Druglikeness	3.0265
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	2
StereoCon

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