(E)-1-(3-bromophenyl)-3-(2-piperidin-1-yl-3H-inden-1-yl)prop-2-en-1-one

Formula:C23H22NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3-bromophenyl)-3-(2-piperidin-1-yl-3H-inden-1-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(3-bromophenyl)-3-(2-piperidin-1-yl-3H-inden-1-yl)prop-2-en-1-one
MolecularFormula	C23H22NOBr
Smiles	O=C(/C=C/C(c1c(C2)cccc1)=C2N1CCCCC1)c1cccc(Br)c1
InChI	InChI=1S/C23H22BrNO/c24-19-9-6-8-18(15-19)23(26)12-11-21-20-10-3-2-7-17(20)16-22(21)25-13-4-1-5-14-25/h2-3,6-12,15H,1,4-5,13-14,16H2
InChIK	PIMOWBFFJMQSRP-UHFFFAOYSA-N
TotalMolweight	408.338
Molweight	408.338
MonoisotopicMass	407.088475
CLogP	5.1776
CLogS	-5.281
H Acceptors	2
TotalSurfaceArea	284.68
Relative PSA	0.058276
PolarSurfaceArea	20.31
Druglikeness	0.28741
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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