(2E)-2-hydrazinylidene-3-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxylic acid

Formula:C10H11N3O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (2E)-2-hydrazinylidene-3-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxylic acid is a drug-like molecule.

MolName	(2E)-2-hydrazinylidene-3-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxylic acid
MolecularFormula	C10H11N3O3S
Smiles	N/N=C1/Sc(cc(cc2)C(O)=O)c2N1CCO
InChI	InChI=1S/C10H11N3O3S/c11-12-10-13(3-4-14)7-2-1-6(9(15)16)5-8(7)17-10/h1-2,5,14H,3-4,11H2,(H,15,16)
InChIK	FXUISEUVKDQTSR-UHFFFAOYSA-N
TotalMolweight	253.281
Molweight	253.281
MonoisotopicMass	253.052112
CLogP	-0.0385
CLogS	-3.252
H Acceptors	6
H Donors	3
TotalSurfaceArea	177.01
Relative PSA	0.49184
PolarSurfaceArea	124.45
Druglikeness	0.31471
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
AcidicOxygens	1
StereoCon

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