(E)-1-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)prop-2-en-1-one

Formula:C16H11NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)prop-2-en-1-one
MolecularFormula	C16H11NO2S
Smiles	O=C(/C=C/N(c(cccc1)c1O1)C1=S)c1ccccc1
InChI	InChI=1S/C16H11NO2S/c18-14(12-6-2-1-3-7-12)10-11-17-13-8-4-5-9-15(13)19-16(17)20/h1-11H
InChIK	KOYLHAHRTTZNHF-UHFFFAOYSA-N
TotalMolweight	281.334
Molweight	281.334
MonoisotopicMass	281.051049
CLogP	2.9883
CLogS	-4.686
H Acceptors	3
TotalSurfaceArea	216.78
Relative PSA	0.25182
PolarSurfaceArea	61.63
Druglikeness	0.86756
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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