2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1H-quinolin-4-one

Formula:C21H14N2O4 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1H-quinolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1H-quinolin-4-one
MolecularFormula	C21H14N2O4
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C/C(Nc2c3cccc2)=CC3=O)o1)=O
InChI	InChI=1S/C21H14N2O4/c24-20-13-15(22-19-4-2-1-3-18(19)20)7-10-17-11-12-21(27-17)14-5-8-16(9-6-14)23(25)26/h1-13H,(H,22,24)
InChIK	KXOCSMQNSYKORW-UHFFFAOYSA-N
TotalMolweight	358.352
Molweight	358.352
MonoisotopicMass	358.095358
CLogP	3.3182
CLogS	-6.416
H Acceptors	6
H Donors	1
TotalSurfaceArea	273.06
Relative PSA	0.2528
PolarSurfaceArea	88.06
Druglikeness	-2.4342
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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