2-[(2E)-2-(oxohydrazinylidene)-1,3-benzothiazol-3-yl]acetic acid

Formula:C9H7N3O3S Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[(2E)-2-(oxohydrazinylidene)-1,3-benzothiazol-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(2E)-2-(oxohydrazinylidene)-1,3-benzothiazol-3-yl]acetic acid
MolecularFormula	C9H7N3O3S
Smiles	OC(CN(c(cccc1)c1S1)/C1=N\N=O)=O
InChI	InChI=1S/C9H7N3O3S/c13-8(14)5-12-6-3-1-2-4-7(6)16-9(12)10-11-15/h1-4H,5H2,(H,13,14)
InChIK	BQSRROQVSGMCDE-UHFFFAOYSA-N
TotalMolweight	237.239
Molweight	237.239
MonoisotopicMass	237.020812
CLogP	1.4699
CLogS	-2.998
H Acceptors	6
H Donors	1
TotalSurfaceArea	166.18
Relative PSA	0.5009
PolarSurfaceArea	107.63
Druglikeness	-3.9735
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions	nitroso
Shape Index	0.5
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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