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

Formula:C16H11NOS Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-quinolin-4-yl-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-quinolin-4-yl-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C16H11NOS
Smiles	O=C(/C=C/c1ccnc2ccccc12)c1cccs1
InChI	InChI=1S/C16H11NOS/c18-15(16-6-3-11-19-16)8-7-12-9-10-17-14-5-2-1-4-13(12)14/h1-11H
InChIK	IGBRRMNMPOTMDP-UHFFFAOYSA-N
TotalMolweight	265.335
Molweight	265.335
MonoisotopicMass	265.056134
CLogP	3.4864
CLogS	-4.556
H Acceptors	2
TotalSurfaceArea	206.57
Relative PSA	0.21479
PolarSurfaceArea	58.2
Druglikeness	2.8649
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Aromatic Nitrogens	1
StereoCon

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