2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Formula:C22H14N2O5 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid is a drug-like molecule.

MolName	2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid
MolecularFormula	C22H14N2O5
Smiles	[O-][N+](c1cc(-c2ccc(/C=C/c3nc4ccccc4c(C(O)=O)c3)o2)ccc1)=O
InChI	InChI=1S/C22H14N2O5/c25-22(26)19-13-15(23-20-7-2-1-6-18(19)20)8-9-17-10-11-21(29-17)14-4-3-5-16(12-14)24(27)28/h1-13H,(H,25,26)
InChIK	HYQFCIKLVKVXBH-UHFFFAOYSA-N
TotalMolweight	386.362
Molweight	386.362
MonoisotopicMass	386.090273
CLogP	3.739
CLogS	-6.415
H Acceptors	7
H Donors	1
TotalSurfaceArea	290.1
Relative PSA	0.28142
PolarSurfaceArea	109.15
Druglikeness	-4.2755
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid | 2 - 2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

Request More Details | 2-[(E)-2-[5-(3-nitrophenyl)furan-2-yl]ethenyl]quinoline-4-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments