2-benzyl-4-hydrazinyl-6-nitro-1-oxo-1,2-benzothiazol-3-one

Formula:C14H12N4O4S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-benzyl-4-hydrazinyl-6-nitro-1-oxo-1,2-benzothiazol-3-one is a drug-like molecule.

MolName	2-benzyl-4-hydrazinyl-6-nitro-1-oxo-1,2-benzothiazol-3-one
MolecularFormula	C14H12N4O4S
Smiles	NNc1cc([N+]([O-])=O)cc(S(N2Cc3ccccc3)=O)c1C2=O
InChI	InChI=1S/C14H14N4O4S/c15-16-11-6-10(18(20)21)7-12-13(11)14(19)17(23(12)22)8-9-4-2-1-3-5-9/h1-7,16H,8,15,23H2
InChIK	ARLJDTYUZDQPGA-UHFFFAOYSA-N
TotalMolweight	332.339
Molweight	332.339
MonoisotopicMass	332.057926
CLogP	1.3863
CLogS	-3.927
H Acceptors	8
H Donors	2
TotalSurfaceArea	227.7
Relative PSA	0.42363
PolarSurfaceArea	140.46
Druglikeness	-6.3418
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; hydrazine
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon	racemate

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