(Z)-1-(4-bromophenyl)-4,4,5,5,6,6,6-heptafluoro-1-hydroxyhex-1-en-3-one

Formula:C12H6O2BrF7 Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-1-(4-bromophenyl)-4,4,5,5,6,6,6-heptafluoro-1-hydroxyhex-1-en-3-one is a drug-like molecule.

MolName	(Z)-1-(4-bromophenyl)-4,4,5,5,6,6,6-heptafluoro-1-hydroxyhex-1-en-3-one
MolecularFormula	C12H6O2BrF7
Smiles	O/C(/c(cc1)ccc1Br)=C\C(C(C(C(F)(F)F)(F)F)(F)F)=O
InChI	InChI=1S/C12H6BrF7O2/c13-7-3-1-6(2-4-7)8(21)5-9(22)10(14,15)11(16,17)12(18,19)20/h1-5,21H
InChIK	GNPOCMFJFFHINC-UHFFFAOYSA-N
TotalMolweight	395.068
Molweight	395.068
MonoisotopicMass	393.943937
CLogP	4.074
CLogS	-4.989
H Acceptors	2
H Donors	1
TotalSurfaceArea	216.38
Relative PSA	0.12081
PolarSurfaceArea	37.3
Druglikeness	-99.047
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	6
StereoCon

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1 - (Z)-1-(4-bromophenyl)-4,4,5,5,6,6,6-heptafluoro-1-hydroxyhex-1-en-3-one | 2 - (Z)-1-(4-bromophenyl)-4,4,5,5,6,6,6-heptafluoro-1-hydroxyhex-1-en-3-one

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