3-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-5-phenylfuran-2-one

Formula:C21H12NO5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-5-phenylfuran-2-one is a drug-like molecule.

MolName	3-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-5-phenylfuran-2-one
MolecularFormula	C21H12NO5Br
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(C=C(C=C(c2ccccc2)O2)C2=O)o1)=O
InChI	InChI=1S/C21H12BrNO5/c22-18-12-15(23(25)26)6-8-17(18)19-9-7-16(27-19)10-14-11-20(28-21(14)24)13-4-2-1-3-5-13/h1-12H
InChIK	JFSYPSPMHWJWSS-UHFFFAOYSA-N
TotalMolweight	438.232
Molweight	438.232
MonoisotopicMass	436.989885
CLogP	4.1657
CLogS	-6.431
H Acceptors	6
TotalSurfaceArea	288.44
Relative PSA	0.23426
PolarSurfaceArea	85.26
Druglikeness	-5.6962
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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