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

Formula:C24H16N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C24H16N2O2S
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)c1cccs1
InChI	InChI=1S/C24H16N2O2S/c27-20(23-11-6-14-29-23)13-12-18-16-26(19-8-2-1-3-9-19)25-24(18)22-15-17-7-4-5-10-21(17)28-22/h1-16H
InChIK	RMNYCESKDIXNLM-UHFFFAOYSA-N
TotalMolweight	396.469
Molweight	396.469
MonoisotopicMass	396.093248
CLogP	4.632
CLogS	-6.214
H Acceptors	4
TotalSurfaceArea	304.98
Relative PSA	0.21428
PolarSurfaceArea	76.27
Druglikeness	5.1466
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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