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

Formula:C19H15N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[5-(3-nitrophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[5-(3-nitrophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
MolecularFormula	C19H15N3O5
Smiles	[O-][N+](c1cc(C(CC2c3ccccc3)=NN2C(/C=C/C(O)=O)=O)ccc1)=O
InChI	InChI=1S/C19H15N3O5/c23-18(9-10-19(24)25)21-17(13-5-2-1-3-6-13)12-16(20-21)14-7-4-8-15(11-14)22(26)27/h1-11,17H,12H2,(H,24,25)/t17-/m1/s1
InChIK	GZNVPNTXVDNWID-QGZVFWFLSA-N
TotalMolweight	365.344
Molweight	365.344
MonoisotopicMass	365.101172
CLogP	1.6871
CLogS	-3.863
H Acceptors	8
H Donors	1
TotalSurfaceArea	271.07
Relative PSA	0.31232
PolarSurfaceArea	115.79
Druglikeness	-1.699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon	racemate

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