2-[(E)-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-ol

Formula:C21H14N2O4 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[(E)-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-ol is a drug-like molecule.

MolName	2-[(E)-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]quinolin-8-ol
MolecularFormula	C21H14N2O4
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=C/c(ccc2ccc3)nc2c3O)o1)=O
InChI	InChI=1S/C21H14N2O4/c24-19-7-3-4-14-8-9-15(22-21(14)19)10-11-16-12-13-20(27-16)17-5-1-2-6-18(17)23(25)26/h1-13,24H
InChIK	QWKDHYHMDFZHOP-UHFFFAOYSA-N
TotalMolweight	358.352
Molweight	358.352
MonoisotopicMass	358.095358
CLogP	3.9082
CLogS	-6.106
H Acceptors	6
H Donors	1
TotalSurfaceArea	272.35
Relative PSA	0.25188
PolarSurfaceArea	92.08
Druglikeness	-4.4175
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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