2-[(E)-2-phenylethenyl]-3,1-benzoxathiin-4-one

Formula:C16H12O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-phenylethenyl]-3,1-benzoxathiin-4-one is a drug-like molecule.

MolName	2-[(E)-2-phenylethenyl]-3,1-benzoxathiin-4-one
MolecularFormula	C16H12O2S
Smiles	O=C1OC(/C=C/c2ccccc2)Sc2c1cccc2
InChI	InChI=1S/C16H12O2S/c17-16-13-8-4-5-9-14(13)19-15(18-16)11-10-12-6-2-1-3-7-12/h1-11,15H/t15-/m0/s1
InChIK	RGNQSOOYPAWNOV-HNNXBMFYSA-N
TotalMolweight	268.335
Molweight	268.335
MonoisotopicMass	268.0558
CLogP	3.7089
CLogS	-4.361
H Acceptors	2
TotalSurfaceArea	203.76
Relative PSA	0.19891
PolarSurfaceArea	51.6
Druglikeness	0.22219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	1
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon	racemate

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