2-[(2Z)-4-oxo-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-3-yl]acetic acid

Formula:C7H7N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2Z)-4-oxo-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(2Z)-4-oxo-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C7H7N5O3S
Smiles	OC(CN(C(CS1)=O)/C1=N/n1cnnc1)=O
InChI	InChI=1S/C7H7N5O3S/c13-5-2-16-7(12(5)1-6(14)15)10-11-3-8-9-4-11/h3-4H,1-2H2,(H,14,15)
InChIK	ZBHPLZHLBZHZAS-UHFFFAOYSA-N
TotalMolweight	241.231
Molweight	241.231
MonoisotopicMass	241.02696
CLogP	-1.6057
CLogS	-3.102
H Acceptors	8
H Donors	1
TotalSurfaceArea	166.61
Relative PSA	0.60345
PolarSurfaceArea	125.98
Druglikeness	-0.49
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	16
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-[(2Z)-4-oxo-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-3-yl]acetic acid | 2 - 2-[(2Z)-4-oxo-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-3-yl]acetic acid

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