4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane

Formula:C14H19O2B Mutagenic:none Tumorigenic:none Reproductive Effective:none 4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane is a drug-like molecule.

MolName	4,4,5,5-tetramethyl-2-[(E)-2-phenylethenyl]-1,3,2-dioxaborolane
MolecularFormula	C14H19O2B
Smiles	CC1(C)OB(/C=C/c2ccccc2)OC1(C)C
InChI	InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3
InChIK	ARAINKADEARZLZ-UHFFFAOYSA-N
TotalMolweight	230.114
Molweight	230.114
MonoisotopicMass	230.14781
CLogP	2.6361
CLogS	-1.887
H Acceptors	2
TotalSurfaceArea	190.72
Relative PSA	0.10487
PolarSurfaceArea	18.46
Druglikeness	-20.977
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	unwanted atom
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	2
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	7
StereoCon

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