6-bromo-2-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Formula:C22H12N2O5BrCl Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-bromo-2-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid is not a drug-like molecule.

MolName	6-bromo-2-[(E)-2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
MolecularFormula	C22H12N2O5BrCl
Smiles	[O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=C/c2cc(C(O)=O)c(cc(cc3)Br)c3n2)o1)=O
InChI	InChI=1S/C22H12BrClN2O5/c23-12-1-7-20-17(9-12)18(22(27)28)10-13(25-20)2-4-15-5-8-21(31-15)16-6-3-14(26(29)30)11-19(16)24/h1-11H,(H,27,28)
InChIK	UWZGDKAZZOIKST-UHFFFAOYSA-N
TotalMolweight	499.703
Molweight	499.703
MonoisotopicMass	497.961811
CLogP	5.0702
CLogS	-7.985
H Acceptors	7
H Donors	1
TotalSurfaceArea	324.15
Relative PSA	0.25186
PolarSurfaceArea	109.15
Druglikeness	-5.9671
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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