(E)-1-(1-difluoroboranyloxynaphthalen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

Formula:C21H18NO2BF2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(1-difluoroboranyloxynaphthalen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(1-difluoroboranyloxynaphthalen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
MolecularFormula	C21H18NO2BF2
Smiles	CN(C)c1ccc(/C=C/C(c(ccc2ccccc22)c2OB(F)F)=O)cc1
InChI	InChI=1S/C21H18BF2NO2/c1-25(2)17-11-7-15(8-12-17)9-14-20(26)19-13-10-16-5-3-4-6-18(16)21(19)27-22(23)24/h3-14H,1-2H3
InChIK	OLEZEZGQKLERJU-UHFFFAOYSA-N
TotalMolweight	365.186
Molweight	365.186
MonoisotopicMass	365.139865
CLogP	4.153
CLogS	-6.15
H Acceptors	3
TotalSurfaceArea	283.99
Relative PSA	0.09363
PolarSurfaceArea	29.54
Druglikeness	-5.5344
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	unwanted atom
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	4
Amines	1
Aromatic Amines	1
StereoCon

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