2-[(2E,5R)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid

Formula:C13H11N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E,5R)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.

MolName	2-[(2E,5R)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid
MolecularFormula	C13H11N5O3S
Smiles	OC(C[C@H](C(N1c2ccccc2)=O)S/C1=N/n1cnnc1)=O
InChI	InChI=1S/C13H11N5O3S/c19-11(20)6-10-12(21)18(9-4-2-1-3-5-9)13(22-10)16-17-7-14-15-8-17/h1-5,7-8,10H,6H2,(H,19,20)/t10-/m1/s1
InChIK	XQXSCXSMMYCMII-SNVBAGLBSA-N
TotalMolweight	317.328
Molweight	317.328
MonoisotopicMass	317.05826
CLogP	0.6097
CLogS	-5.113
H Acceptors	8
H Donors	1
TotalSurfaceArea	225.11
Relative PSA	0.44663
PolarSurfaceArea	125.98
Druglikeness	6.244
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon	this enantiomer

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1 - 2-[(2E,5R)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid | 2 - 2-[(2E,5R)-4-oxo-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-5-yl]acetic acid

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