6-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]-3,1-benzoxazin-4-one

Formula:C16H9NO2BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	6-bromo-2-[(E)-2-(4-fluorophenyl)ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C16H9NO2BrF
Smiles	O=C1OC(/C=C/c(cc2)ccc2F)=Nc(cc2)c1cc2Br
InChI	InChI=1S/C16H9BrFNO2/c17-11-4-7-14-13(9-11)16(20)21-15(19-14)8-3-10-1-5-12(18)6-2-10/h1-9H
InChIK	BXUZSKVTXSOKDU-UHFFFAOYSA-N
TotalMolweight	346.154
Molweight	346.154
MonoisotopicMass	344.980068
CLogP	3.5315
CLogS	-4.859
H Acceptors	3
TotalSurfaceArea	221.72
Relative PSA	0.15583
PolarSurfaceArea	38.66
Druglikeness	-3.6332
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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