(2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid

Formula:C11H11NO4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid is a drug-like molecule.

MolName	(2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid
MolecularFormula	C11H11NO4S2
Smiles	OC(C[C@@H](C(O)=O)c(cc1)cc(N2)c1S[C@H]2S)=O
InChI	InChI=1S/C11H11NO4S2/c13-9(14)4-6(10(15)16)5-1-2-8-7(3-5)12-11(17)18-8/h1-3,6,11-12,17H,4H2,(H,13,14)(H,15,16)/t6-,11-/m1/s1
InChIK	MHUCVGGKWUSZIF-KSBSHMNSSA-N
TotalMolweight	285.343
Molweight	285.343
MonoisotopicMass	285.012949
CLogP	0.4699
CLogS	-2.877
H Acceptors	5
H Donors	3
TotalSurfaceArea	191.53
Relative PSA	0.54216
PolarSurfaceArea	150.73
Druglikeness	-2.084
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
AcidicOxygens	2
StereoCon	this enantiomer

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1 - (2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid | 2 - (2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid

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