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

Formula:C17H14N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
MolecularFormula	C17H14N2O4
Smiles	OC(/C=C/C(N(C(C1)c2ccco2)N=C1c1ccccc1)=O)=O
InChI	InChI=1S/C17H14N2O4/c20-16(8-9-17(21)22)19-14(15-7-4-10-23-15)11-13(18-19)12-5-2-1-3-6-12/h1-10,14H,11H2,(H,21,22)/t14-/m0/s1
InChIK	JKDMOPUAHRXGLM-AWEZNQCLSA-N
TotalMolweight	310.308
Molweight	310.308
MonoisotopicMass	310.095358
CLogP	1.7974
CLogS	-3.085
H Acceptors	6
H Donors	1
TotalSurfaceArea	237.09
Relative PSA	0.28829
PolarSurfaceArea	83.11
Druglikeness	3.3502
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon	racemate

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