[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C21H22NO4Br Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C21H22NO4Br
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)N1CCC(Cc2ccccc2)CC1
InChI	InChI=1S/C21H22BrNO4/c22-19-8-6-18(27-19)7-9-21(25)26-15-20(24)23-12-10-17(11-13-23)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2
InChIK	QEHVNQSNBJAANH-UHFFFAOYSA-N
TotalMolweight	432.313
Molweight	432.313
MonoisotopicMass	431.07322
CLogP	4.1075
CLogS	-4.062
H Acceptors	5
TotalSurfaceArea	305.2
Relative PSA	0.17608
PolarSurfaceArea	59.75
Druglikeness	0.32872
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
Amides	1
StereoCon

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