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

Formula:C16H10NO2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-bromo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	6-bromo-2-[(E)-2-phenylethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C16H10NO2Br
Smiles	O=C1OC(/C=C/c2ccccc2)=Nc(cc2)c1cc2Br
InChI	InChI=1S/C16H10BrNO2/c17-12-7-8-14-13(10-12)16(19)20-15(18-14)9-6-11-4-2-1-3-5-11/h1-10H
InChIK	FSHOMKHJBFDOMW-UHFFFAOYSA-N
TotalMolweight	328.164
Molweight	328.164
MonoisotopicMass	326.98949
CLogP	3.4307
CLogS	-4.545
H Acceptors	3
TotalSurfaceArea	215.37
Relative PSA	0.16042
PolarSurfaceArea	38.66
Druglikeness	-2.2932
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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