(E)-4-[2-(1,3-benzothiazol-2-yl)hydrazinyl]-4-oxobut-2-enoic acid

Formula:C11H9N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-(1,3-benzothiazol-2-yl)hydrazinyl]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-(1,3-benzothiazol-2-yl)hydrazinyl]-4-oxobut-2-enoic acid
MolecularFormula	C11H9N3O3S
Smiles	OC(/C=C/C(NNc1nc(cccc2)c2s1)=O)=O
InChI	InChI=1S/C11H9N3O3S/c15-9(5-6-10(16)17)13-14-11-12-7-3-1-2-4-8(7)18-11/h1-6H,(H,12,14)(H,13,15)(H,16,17)
InChIK	JTTHVPUTYNKGLC-UHFFFAOYSA-N
TotalMolweight	263.276
Molweight	263.276
MonoisotopicMass	263.036462
CLogP	1.8254
CLogS	-2.322
H Acceptors	6
H Donors	3
TotalSurfaceArea	193.83
Relative PSA	0.48202
PolarSurfaceArea	119.56
Druglikeness	2.4536
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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