(E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one

Formula:C24H24NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-(3-bromophenyl)prop-2-en-1-one
MolecularFormula	C24H24NOBr
Smiles	O=C(/C=C/C(c1c(C2)cccc1)=C2N1CCCCCC1)c1cccc(Br)c1
InChI	InChI=1S/C24H24BrNO/c25-20-10-7-9-19(16-20)24(27)13-12-22-21-11-4-3-8-18(21)17-23(22)26-14-5-1-2-6-15-26/h3-4,7-13,16H,1-2,5-6,14-15,17H2
InChIK	WQHYKKYGPXYPCL-UHFFFAOYSA-N
TotalMolweight	422.365
Molweight	422.365
MonoisotopicMass	421.104125
CLogP	5.5196
CLogS	-5.551
H Acceptors	2
TotalSurfaceArea	298.44
Relative PSA	0.055589
PolarSurfaceArea	20.31
Druglikeness	-2.2288
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	3
BasicNitrogens	1
StereoCon

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