[2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate

Formula:C22H14O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.

MolName	[2-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate
MolecularFormula	C22H14O4S
Smiles	O=C(/C=C/c(cccc1)c1OC(c1cccs1)=O)c1cc(cccc2)c2o1
InChI	InChI=1S/C22H14O4S/c23-17(20-14-16-7-2-4-9-19(16)25-20)12-11-15-6-1-3-8-18(15)26-22(24)21-10-5-13-27-21/h1-14H
InChIK	UADGQBZFCDQFLK-UHFFFAOYSA-N
TotalMolweight	374.415
Molweight	374.415
MonoisotopicMass	374.06128
CLogP	5.1065
CLogS	-6.503
H Acceptors	4
TotalSurfaceArea	285.01
Relative PSA	0.24754
PolarSurfaceArea	84.75
Druglikeness	2.7064
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	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
StereoCon

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