(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione

Formula:C17H10O3BrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione is a drug-like molecule.

MolName	(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione
MolecularFormula	C17H10O3BrF3
Smiles	Oc(cc1)c(/C=C(\C(C(F)(F)F)=O)/C(c2ccccc2)=O)cc1Br
InChI	InChI=1S/C17H10BrF3O3/c18-12-6-7-14(22)11(8-12)9-13(16(24)17(19,20)21)15(23)10-4-2-1-3-5-10/h1-9,22H
InChIK	REKUPXHBIYGUPM-UHFFFAOYSA-N
TotalMolweight	399.161
Molweight	399.161
MonoisotopicMass	397.97654
CLogP	4.1754
CLogS	-5.164
H Acceptors	3
H Donors	1
TotalSurfaceArea	247.67
Relative PSA	0.15819
PolarSurfaceArea	54.37
Druglikeness	-34.38
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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1 - (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione | 2 - (2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]-4,4,4-trifluoro-1-phenylbutane-1,3-dione

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