(E)-1-(2-difluoroboranyloxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Formula:C17H15O3BF2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-1-(2-difluoroboranyloxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-difluoroboranyloxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
MolecularFormula	C17H15O3BF2
Smiles	Cc(cc1)cc(C(/C=C/c(cc2)ccc2OC)=O)c1OB(F)F
InChI	InChI=1S/C17H15BF2O3/c1-12-3-10-17(23-18(19)20)15(11-12)16(21)9-6-13-4-7-14(22-2)8-5-13/h3-11H,1-2H3
InChIK	YRKFMNNOQOVKIN-UHFFFAOYSA-N
TotalMolweight	316.11
Molweight	316.11
MonoisotopicMass	316.108231
CLogP	3.3361
CLogS	-4.87
H Acceptors	3
TotalSurfaceArea	249.09
Relative PSA	0.13264
PolarSurfaceArea	35.53
Druglikeness	-7.0113
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	unwanted atom
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	3
StereoCon

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