7-[2-(4-bromophenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Formula:C20H15O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-[2-(4-bromophenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is a drug-like molecule.

MolName	7-[2-(4-bromophenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
MolecularFormula	C20H15O4Br
Smiles	O=C(COc(cc1)cc(O2)c1C(CCC1)=C1C2=O)c(cc1)ccc1Br
InChI	InChI=1S/C20H15BrO4/c21-13-6-4-12(5-7-13)18(22)11-24-14-8-9-16-15-2-1-3-17(15)20(23)25-19(16)10-14/h4-10H,1-3,11H2
InChIK	LHSPTBHEEUOCHT-UHFFFAOYSA-N
TotalMolweight	399.239
Molweight	399.239
MonoisotopicMass	398.015371
CLogP	3.6797
CLogS	-5.047
H Acceptors	4
TotalSurfaceArea	258.11
Relative PSA	0.17853
PolarSurfaceArea	52.6
Druglikeness	-3.7446
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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