(E)-4,4,5,5,6,6,7,7-octafluoro-1-hydroxy-1-phenyl-7-(3-phenyl-1H-pyrazol-5-yl)hept-1-en-3-one

Formula:C22H14N2O2F8 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4,4,5,5,6,6,7,7-octafluoro-1-hydroxy-1-phenyl-7-(3-phenyl-1H-pyrazol-5-yl)hept-1-en-3-one is a drug-like molecule.

MolName	(E)-4,4,5,5,6,6,7,7-octafluoro-1-hydroxy-1-phenyl-7-(3-phenyl-1H-pyrazol-5-yl)hept-1-en-3-one
MolecularFormula	C22H14N2O2F8
Smiles	O/C(/c1ccccc1)=C/C(C(C(C(C(c1cc(-c2ccccc2)n[nH]1)(F)F)(F)F)(F)F)(F)F)=O
InChI	InChI=1S/C22H14F8N2O2/c23-19(24,17-11-15(31-32-17)13-7-3-1-4-8-13)21(27,28)22(29,30)20(25,26)18(34)12-16(33)14-9-5-2-6-10-14/h1-12,33H,(H,31,32)
InChIK	MQWKDISYPJVELY-UHFFFAOYSA-N
TotalMolweight	490.349
Molweight	490.349
MonoisotopicMass	490.092752
CLogP	4.8621
CLogS	-5.479
H Acceptors	4
H Donors	2
TotalSurfaceArea	322.36
Relative PSA	0.15852
PolarSurfaceArea	65.98
Druglikeness	-83.823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	8
Aromatic Nitrogens	2
StereoCon

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1 - (E)-4,4,5,5,6,6,7,7-octafluoro-1-hydroxy-1-phenyl-7-(3-phenyl-1H-pyrazol-5-yl)hept-1-en-3-one | 2 - (E)-4,4,5,5,6,6,7,7-octafluoro-1-hydroxy-1-phenyl-7-(3-phenyl-1H-pyrazol-5-yl)hept-1-en-3-one

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