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

Formula:C26H17N2O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-1-(4-fluorophenyl)prop-2-en-1-one
MolecularFormula	C26H17N2O2F
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)c(cc1)ccc1F
InChI	InChI=1S/C26H17FN2O2/c27-21-13-10-18(11-14-21)23(30)15-12-20-17-29(22-7-2-1-3-8-22)28-26(20)25-16-19-6-4-5-9-24(19)31-25/h1-17H
InChIK	ZOHLJXOCURKRQT-UHFFFAOYSA-N
TotalMolweight	408.431
Molweight	408.431
MonoisotopicMass	408.127406
CLogP	4.8662
CLogS	-6.518
H Acceptors	4
TotalSurfaceArea	315.39
Relative PSA	0.14265
PolarSurfaceArea	48.03
Druglikeness	2.0827
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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