[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate

Formula:C17H12N4O6S Mutagenic:low Tumorigenic:high Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
MolecularFormula	C17H12N4O6S
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c(cc1)cc2c1ncs2)=O)=O)=O)=O
InChI	InChI=1S/C17H12N4O6S/c22-15(19-20-16(23)10-1-4-12(5-2-10)21(25)26)8-27-17(24)11-3-6-13-14(7-11)28-9-18-13/h1-7,9H,8H2,(H,19,22)(H,20,23)
InChIK	OIRKXTXEYNECMR-UHFFFAOYSA-N
TotalMolweight	400.37
Molweight	400.37
MonoisotopicMass	400.047756
CLogP	0.2083
CLogS	-3.9
H Acceptors	10
H Donors	2
TotalSurfaceArea	285.92
Relative PSA	0.46793
PolarSurfaceArea	171.45
Druglikeness	-1.8026
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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