(E)-4-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid

Formula:C15H12N2O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-4-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
MolecularFormula	C15H12N2O4S
Smiles	OC(/C=C/C(N(C(C1)c2cccs2)N=C1c1ccco1)=O)=O
InChI	InChI=1S/C15H12N2O4S/c18-14(5-6-15(19)20)17-11(13-4-2-8-22-13)9-10(16-17)12-3-1-7-21-12/h1-8,11H,9H2,(H,19,20)/t11-/m0/s1
InChIK	KITOTVNYLXMYEF-NSHDSACASA-N
TotalMolweight	316.336
Molweight	316.336
MonoisotopicMass	316.051778
CLogP	1.664
CLogS	-3.095
H Acceptors	6
H Donors	1
TotalSurfaceArea	233.03
Relative PSA	0.38068
PolarSurfaceArea	111.35
Druglikeness	4.6362
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	3
AcidicOxygens	1
StereoCon	racemate

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