(Z)-4-(4-nitrophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid

Formula:C19H12N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(4-nitrophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid is a drug-like molecule.

MolName	(Z)-4-(4-nitrophenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid
MolecularFormula	C19H12N2O5
Smiles	[O-][N+](c1ccc(/C=C(\C(C(O)=O)=O)/c2nc3ccccc3cc2)cc1)=O
InChI	InChI=1S/C19H12N2O5/c22-18(19(23)24)15(11-12-5-8-14(9-6-12)21(25)26)17-10-7-13-3-1-2-4-16(13)20-17/h1-11H,(H,23,24)
InChIK	PSAKHUYUMWVJHU-UHFFFAOYSA-N
TotalMolweight	348.313
Molweight	348.313
MonoisotopicMass	348.074623
CLogP	1.6605
CLogS	-4.068
H Acceptors	7
H Donors	1
TotalSurfaceArea	256.61
Relative PSA	0.31398
PolarSurfaceArea	113.08
Druglikeness	-11.557
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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