(E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-(4-fluorophenyl)prop-2-en-1-one

Formula:C24H24NOF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-(4-fluorophenyl)prop-2-en-1-one
MolecularFormula	C24H24NOF
Smiles	O=C(/C=C/C(c1c(C2)cccc1)=C2N1CCCCCC1)c(cc1)ccc1F
InChI	InChI=1S/C24H24FNO/c25-20-11-9-18(10-12-20)24(27)14-13-22-21-8-4-3-7-19(21)17-23(22)26-15-5-1-2-6-16-26/h3-4,7-14H,1-2,5-6,15-17H2
InChIK	GMJNBAXPEJXKKJ-UHFFFAOYSA-N
TotalMolweight	361.459
Molweight	361.459
MonoisotopicMass	361.184192
CLogP	4.8952
CLogS	-5.031
H Acceptors	2
TotalSurfaceArea	286.16
Relative PSA	0.057975
PolarSurfaceArea	20.31
Druglikeness	-1.7788
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
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	5
BasicNitrogens	1
StereoCon

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