(E)-3-(6-bromo-4-oxochromen-3-yl)prop-2-enoate

Formula:C12H6O4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-4-oxochromen-3-yl)prop-2-enoate is a drug-like molecule.

MolName	(E)-3-(6-bromo-4-oxochromen-3-yl)prop-2-enoate
MolecularFormula	C12H6O4Br
Smiles	[O-]C(/C=C/C1=COc(ccc(Br)c2)c2C1=O)=O
InChI	InChI=1S/C12H7BrO4/c13-8-2-3-10-9(5-8)12(16)7(6-17-10)1-4-11(14)15/h1-6H,(H,14,15)/p-1
InChIK	NGCUIVHNEQBHCS-UHFFFAOYSA-M
TotalMolweight	294.08
Molweight	294.08
MonoisotopicMass	292.944946
CLogP	-0.1212
CLogS	-3.403
H Acceptors	4
TotalSurfaceArea	182.63
Relative PSA	0.27575
PolarSurfaceArea	66.43
Druglikeness	-1.1594
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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