(Z)-4-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid

Formula:C23H14N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid is a drug-like molecule.

MolName	(Z)-4-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid
MolecularFormula	C23H14N4O5S
Smiles	[O-][N+](c(cc(/C=C(\C(C(O)=O)=O)/c1nc2ccccc2cc1)cc1)c1Sc1ncccn1)=O
InChI	InChI=1S/C23H14N4O5S/c28-21(22(29)30)16(18-8-7-15-4-1-2-5-17(15)26-18)12-14-6-9-20(19(13-14)27(31)32)33-23-24-10-3-11-25-23/h1-13H,(H,29,30)
InChIK	AWWBWMGPHUVXRU-UHFFFAOYSA-N
TotalMolweight	458.453
Molweight	458.453
MonoisotopicMass	458.068491
CLogP	2.1605
CLogS	-4.619
H Acceptors	9
H Donors	1
TotalSurfaceArea	331.38
Relative PSA	0.36212
PolarSurfaceArea	164.16
Druglikeness	-11.099
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	2
StereoCon

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