(E)-1-(2-difluoroboranyloxy-5-methoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

Formula:C18H18NO3BF2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(2-difluoroboranyloxy-5-methoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-difluoroboranyloxy-5-methoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
MolecularFormula	C18H18NO3BF2
Smiles	CN(C)c1ccc(/C=C/C(c(cc(cc2)OC)c2OB(F)F)=O)cc1
InChI	InChI=1S/C18H18BF2NO3/c1-22(2)14-7-4-13(5-8-14)6-10-17(23)16-12-15(24-3)9-11-18(16)25-19(20)21/h4-12H,1-3H3
InChIK	VYVWWKAZIWKQME-UHFFFAOYSA-N
TotalMolweight	345.152
Molweight	345.152
MonoisotopicMass	345.13478
CLogP	2.8886
CLogS	-4.562
H Acceptors	4
TotalSurfaceArea	271.65
Relative PSA	0.1347
PolarSurfaceArea	38.77
Druglikeness	-5.4708
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	unwanted atom
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amines	1
Aromatic Amines	1
StereoCon

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