(E,Z)-bis[3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]azanium

Formula:C18H18N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E,Z)-bis[3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]azanium is a drug-like molecule.

MolName	(E,Z)-bis[3-(2-hydroxyethyl)-1,3-benzothiazol-2-ylidene]azanium
MolecularFormula	C18H18N3O2S2
Smiles	OCCN(c(cccc1)c1S1)C1=[N+]=C1Sc(cccc2)c2N1CCO
InChI	InChI=1S/C18H18N3O2S2/c22-11-9-20-13-5-1-3-7-15(13)24-17(20)19-18-21(10-12-23)14-6-2-4-8-16(14)25-18/h1-8,22-23H,9-12H2/q+1
InChIK	CVHBSVFDSHUEQS-UHFFFAOYSA-N
TotalMolweight	372.492
Molweight	372.492
MonoisotopicMass	372.084042
CLogP	1.3718
CLogS	-4.942
H Acceptors	5
H Donors	2
TotalSurfaceArea	252.26
Relative PSA	0.27067
PolarSurfaceArea	97.54
Druglikeness	2.52
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	12
StereoCon	racemate

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