N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-4-bromobenzamide

Formula:C25H21N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-4-bromobenzamide is not a drug-like molecule.

MolName	N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-4-bromobenzamide
MolecularFormula	C25H21N2O4Br
Smiles	O=C(/C(/NC(c(cc1)ccc1Br)=O)=C\c(cc1)cc2c1OCO2)NCCc1ccccc1
InChI	InChI=1S/C25H21BrN2O4/c26-20-9-7-19(8-10-20)24(29)28-21(14-18-6-11-22-23(15-18)32-16-31-22)25(30)27-13-12-17-4-2-1-3-5-17/h1-11,14-15H,12-13,16H2,(H,27,30)(H,28,29)
InChIK	VLYRLFIBXHDEDC-UHFFFAOYSA-N
TotalMolweight	493.356
Molweight	493.356
MonoisotopicMass	492.068469
CLogP	5.3999
CLogS	-6.346
H Acceptors	6
H Donors	2
TotalSurfaceArea	342.32
Relative PSA	0.20157
PolarSurfaceArea	76.66
Druglikeness	1.6597
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	2
StereoCon

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