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

Formula:C13H8NO5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enoic acid
MolecularFormula	C13H8NO5Cl
Smiles	[O-][N+](c(cc(cc1)Cl)c1-c1ccc(/C=C/C(O)=O)o1)=O
InChI	InChI=1S/C13H8ClNO5/c14-8-1-4-10(11(7-8)15(18)19)12-5-2-9(20-12)3-6-13(16)17/h1-7H,(H,16,17)
InChIK	WQADAPOGGCODCY-UHFFFAOYSA-N
TotalMolweight	293.662
Molweight	293.662
MonoisotopicMass	293.009101
CLogP	2.0972
CLogS	-4.655
H Acceptors	6
H Donors	1
TotalSurfaceArea	212.4
Relative PSA	0.33272
PolarSurfaceArea	96.26
Druglikeness	-3.151
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
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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