2-[(E)-2-(furan-2-yl)ethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

Formula:C16H13NO3S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(furan-2-yl)ethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(furan-2-yl)ethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
MolecularFormula	C16H13NO3S
Smiles	O=C1OC(/C=C/c2ccco2)=Nc2c1c(CCCC1)c1s2
InChI	InChI=1S/C16H13NO3S/c18-16-14-11-5-1-2-6-12(11)21-15(14)17-13(20-16)8-7-10-4-3-9-19-10/h3-4,7-9H,1-2,5-6H2
InChIK	BJIISPHPCMICRX-UHFFFAOYSA-N
TotalMolweight	299.349
Molweight	299.349
MonoisotopicMass	299.061614
CLogP	3.1072
CLogS	-4.645
H Acceptors	4
TotalSurfaceArea	223.91
Relative PSA	0.30825
PolarSurfaceArea	80.04
Druglikeness	-2.6737
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
StereoCon

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1 - 2-[(E)-2-(furan-2-yl)ethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one | 2 - 2-[(E)-2-(furan-2-yl)ethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

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