(E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one

Formula:C20H13NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C20H13NO2S
Smiles	O=C(/C(/c1nc(cccc2)c2o1)=C/c1cccs1)c1ccccc1
InChI	InChI=1S/C20H13NO2S/c22-19(14-7-2-1-3-8-14)16(13-15-9-6-12-24-15)20-21-17-10-4-5-11-18(17)23-20/h1-13H
InChIK	MFAWFIUAIALBNK-UHFFFAOYSA-N
TotalMolweight	331.394
Molweight	331.394
MonoisotopicMass	331.066699
CLogP	4.4085
CLogS	-4.936
H Acceptors	3
TotalSurfaceArea	254.23
Relative PSA	0.23003
PolarSurfaceArea	71.34
Druglikeness	2.9571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one | 2 - (E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one

Request More Details | (E)-2-(1,3-benzoxazol-2-yl)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments