(Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate

Formula:C16H17NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate is a drug-like molecule.

MolName	(Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate
MolecularFormula	C16H17NO4S
Smiles	[O-]S(C/C(/c1cc[n+](CCO)cc1)=C\c1ccccc1)(=O)=O
InChI	InChI=1S/C16H17NO4S/c18-11-10-17-8-6-15(7-9-17)16(13-22(19,20)21)12-14-4-2-1-3-5-14/h1-9,12,18H,10-11,13H2
InChIK	HFBARPFDICHIIW-UHFFFAOYSA-N
TotalMolweight	319.38
Molweight	319.38
MonoisotopicMass	319.087829
CLogP	-5.0561
CLogS	-1.071
H Acceptors	5
H Donors	1
TotalSurfaceArea	238.77
Relative PSA	0.24593
PolarSurfaceArea	89.69
Druglikeness	-12.661
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate | 2 - (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate

Request More Details | (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-phenylprop-2-ene-1-sulfonate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments