(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one

Formula:C22H15N2OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
MolecularFormula	C22H15N2OFS
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c(cc1)ccc1F
InChI	InChI=1S/C22H15FN2OS/c23-18-11-8-16(9-12-18)20(26)13-10-17-15-25(19-5-2-1-3-6-19)24-22(17)21-7-4-14-27-21/h1-15H
InChIK	KJODFTVZFFBYBB-UHFFFAOYSA-N
TotalMolweight	374.438
Molweight	374.438
MonoisotopicMass	374.088911
CLogP	4.3471
CLogS	-5.588
H Acceptors	3
TotalSurfaceArea	287.04
Relative PSA	0.17851
PolarSurfaceArea	63.13
Druglikeness	3.6468
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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