3-[2-[(E)-2-anilinoethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonic acid

Formula:C14H19N2O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[2-[(E)-2-anilinoethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonic acid is a drug-like molecule.

MolName	3-[2-[(E)-2-anilinoethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonic acid
MolecularFormula	C14H19N2O3S2
Smiles	OS(CCC[N+]1=C(/C=C/Nc2ccccc2)SCC1)(=O)=O
InChI	InChI=1S/C14H18N2O3S2/c17-21(18,19)12-4-9-16-10-11-20-14(16)7-8-15-13-5-2-1-3-6-13/h1-3,5-8H,4,9-12H2,(H,17,18,19)/p+1
InChIK	DMMOMOLSKPDLPY-UHFFFAOYSA-O
TotalMolweight	327.448
Molweight	327.448
MonoisotopicMass	327.083708
CLogP	-0.7661
CLogS	-1.323
H Acceptors	5
H Donors	2
TotalSurfaceArea	231.95
Relative PSA	0.28209
PolarSurfaceArea	103.09
Druglikeness	-8.5233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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