(E)-4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid

Formula:C6H6N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid
MolecularFormula	C6H6N4O5S2
Smiles	NS(c1nnc(NC(/C=C/C(O)=O)=O)s1)(=O)=O
InChI	InChI=1S/C6H6N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H,(H,12,13)(H2,7,14,15)(H,8,9,11)
InChIK	MBXVRPOXAVAXEA-UHFFFAOYSA-N
TotalMolweight	278.269
Molweight	278.269
MonoisotopicMass	277.977961
CLogP	-1.1547
CLogS	-1.423
H Acceptors	9
H Donors	3
TotalSurfaceArea	183.63
Relative PSA	0.74492
PolarSurfaceArea	188.96
Druglikeness	3.6839
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	2
Symmetricatoms	1
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid | 2 - (E)-4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid

Request More Details | (E)-4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments