2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetic acid

Formula:C17H12N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]acetic acid
MolecularFormula	C17H12N2O5S
Smiles	[O-][N+](c(cc1)cc2c1nc(/C=C/c(cc1)ccc1OCC(O)=O)s2)=O
InChI	InChI=1S/C17H12N2O5S/c20-17(21)10-24-13-5-1-11(2-6-13)3-8-16-18-14-7-4-12(19(22)23)9-15(14)25-16/h1-9H,10H2,(H,20,21)
InChIK	USJPWHBKTPJQLT-UHFFFAOYSA-N
TotalMolweight	356.357
Molweight	356.357
MonoisotopicMass	356.046693
CLogP	2.0122
CLogS	-4.269
H Acceptors	7
H Donors	1
TotalSurfaceArea	260.35
Relative PSA	0.37599
PolarSurfaceArea	133.48
Druglikeness	-3.7945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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