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

Formula:C16H9NO2Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-bromo-2-[(E)-2-(4-bromophenyl)ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	6-bromo-2-[(E)-2-(4-bromophenyl)ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C16H9NO2Br2
Smiles	O=C1OC(/C=C/c(cc2)ccc2Br)=Nc(cc2)c1cc2Br
InChI	InChI=1S/C16H9Br2NO2/c17-11-4-1-10(2-5-11)3-8-15-19-14-7-6-12(18)9-13(14)16(20)21-15/h1-9H
InChIK	SNCNYDQCHVLSNB-UHFFFAOYSA-N
TotalMolweight	407.06
Molweight	407.06
MonoisotopicMass	404.900001
CLogP	4.1559
CLogS	-5.379
H Acceptors	3
TotalSurfaceArea	234
Relative PSA	0.14765
PolarSurfaceArea	38.66
Druglikeness	-2.2932
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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