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

Formula:C14H8NO3Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-bromo-2-[(E)-2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	6-bromo-2-[(E)-2-(furan-2-yl)ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C14H8NO3Br
Smiles	O=C1OC(/C=C/c2ccco2)=Nc(cc2)c1cc2Br
InChI	InChI=1S/C14H8BrNO3/c15-9-3-5-12-11(8-9)14(17)19-13(16-12)6-4-10-2-1-7-18-10/h1-8H
InChIK	VTJGCKGPZPZHLQ-UHFFFAOYSA-N
TotalMolweight	318.126
Molweight	318.126
MonoisotopicMass	316.968755
CLogP	2.6194
CLogS	-4.227
H Acceptors	4
TotalSurfaceArea	205.06
Relative PSA	0.2373
PolarSurfaceArea	51.8
Druglikeness	-2.0906
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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