(E)-3-(4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one

Formula:C13H10O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C13H10O2S
Smiles	Oc1ccc(/C=C/C(c2cccs2)=O)cc1
InChI	InChI=1S/C13H10O2S/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-9,14H
InChIK	MCMNCKMDUDICKW-UHFFFAOYSA-N
TotalMolweight	230.286
Molweight	230.286
MonoisotopicMass	230.04015
CLogP	2.8247
CLogS	-3.554
H Acceptors	2
H Donors	1
TotalSurfaceArea	179.56
Relative PSA	0.25897
PolarSurfaceArea	65.54
Druglikeness	2.7512
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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