2,2,2-trifluoro-1-[(3E)-2-hydroxy-3-[(3-hydroxyphenyl)methylidene]cyclopenten-1-yl]ethanone

Formula:C14H11O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,2,2-trifluoro-1-[(3E)-2-hydroxy-3-[(3-hydroxyphenyl)methylidene]cyclopenten-1-yl]ethanone is a drug-like molecule.

MolName	2,2,2-trifluoro-1-[(3E)-2-hydroxy-3-[(3-hydroxyphenyl)methylidene]cyclopenten-1-yl]ethanone
MolecularFormula	C14H11O3F3
Smiles	OC(/C(/CC1)=C/c2cc(O)ccc2)=C1C(C(F)(F)F)=O
InChI	InChI=1S/C14H11F3O3/c15-14(16,17)13(20)11-5-4-9(12(11)19)6-8-2-1-3-10(18)7-8/h1-3,6-7,18-19H,4-5H2
InChIK	DREDWWCCDHVQKC-UHFFFAOYSA-N
TotalMolweight	284.232
Molweight	284.232
MonoisotopicMass	284.066029
CLogP	2.6622
CLogS	-3.467
H Acceptors	3
H Donors	2
TotalSurfaceArea	194.82
Relative PSA	0.20142
PolarSurfaceArea	57.53
Druglikeness	-33.297
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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