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

Formula:C16H17NO5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate is a drug-like molecule.

MolName	(Z)-2-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-3-(4-hydroxyphenyl)prop-2-ene-1-sulfonate
MolecularFormula	C16H17NO5S
Smiles	[O-]S(C/C(/c1cc[n+](CCO)cc1)=C\c(cc1)ccc1O)(=O)=O
InChI	InChI=1S/C16H17NO5S/c18-10-9-17-7-5-14(6-8-17)15(12-23(20,21)22)11-13-1-3-16(19)4-2-13/h1-8,11,18H,9-10,12H2,(H,20,21,22)
InChIK	QQEQAOXNBRATNE-UHFFFAOYSA-N
TotalMolweight	335.379
Molweight	335.379
MonoisotopicMass	335.082744
CLogP	-5.4018
CLogS	-0.775
H Acceptors	6
H Donors	2
TotalSurfaceArea	245.12
Relative PSA	0.293
PolarSurfaceArea	109.92
Druglikeness	-11.209
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	5
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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

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