(E)-1-(1-benzofuran-2-yl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

Formula:C28H18N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(1-benzofuran-2-yl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(1-benzofuran-2-yl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
MolecularFormula	C28H18N2O3
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)c1cc(cccc2)c2o1
InChI	InChI=1S/C28H18N2O3/c31-23(26-16-19-8-4-6-12-24(19)32-26)15-14-21-18-30(22-10-2-1-3-11-22)29-28(21)27-17-20-9-5-7-13-25(20)33-27/h1-18H
InChIK	STUZZBYGFYHDQP-UHFFFAOYSA-N
TotalMolweight	430.462
Molweight	430.462
MonoisotopicMass	430.131743
CLogP	5.271
CLogS	-7.387
H Acceptors	5
TotalSurfaceArea	333.33
Relative PSA	0.1773
PolarSurfaceArea	61.17
Druglikeness	3.6737
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	29
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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