(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]prop-2-enoic acid

Formula:C13H8NO5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]prop-2-enoic acid
MolecularFormula	C13H8NO5Br
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C/C(O)=O)o1)=O
InChI	InChI=1S/C13H8BrNO5/c14-11-7-8(15(18)19)1-4-10(11)12-5-2-9(20-12)3-6-13(16)17/h1-7H,(H,16,17)
InChIK	YOGJIDREHXQQIF-UHFFFAOYSA-N
TotalMolweight	338.113
Molweight	338.113
MonoisotopicMass	336.958585
CLogP	2.2164
CLogS	-4.753
H Acceptors	6
H Donors	1
TotalSurfaceArea	215.61
Relative PSA	0.32777
PolarSurfaceArea	96.26
Druglikeness	-5.0242
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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