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

Formula:C17H15O4BF2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-1-(2-difluoroboranyloxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-difluoroboranyloxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
MolecularFormula	C17H15O4BF2
Smiles	COc1ccc(/C=C/C(c(ccc(OC)c2)c2OB(F)F)=O)cc1
InChI	InChI=1S/C17H15BF2O4/c1-22-13-6-3-12(4-7-13)5-10-16(21)15-9-8-14(23-2)11-17(15)24-18(19)20/h3-11H,1-2H3
InChIK	NLDWAUUUMXWZHZ-UHFFFAOYSA-N
TotalMolweight	332.109
Molweight	332.109
MonoisotopicMass	332.103146
CLogP	2.9222
CLogS	-4.544
H Acceptors	4
TotalSurfaceArea	259.09
Relative PSA	0.16612
PolarSurfaceArea	44.76
Druglikeness	-6.975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	unwanted atom
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	3
StereoCon

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