N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide

Formula:C17H15N3O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is a drug-like molecule.

MolName	N-(2-methoxy-5-nitrophenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
MolecularFormula	C17H15N3O7S
Smiles	COc(ccc([N+]([O-])=O)c1)c1NC(CCN(C(c1c2cccc1)=O)S2(=O)=O)=O
InChI	InChI=1S/C17H15N3O7S/c1-27-14-7-6-11(20(23)24)10-13(14)18-16(21)8-9-19-17(22)12-4-2-3-5-15(12)28(19,25)26/h2-7,10H,8-9H2,1H3,(H,18,21)
InChIK	CPCJRVNTADJTFG-UHFFFAOYSA-N
TotalMolweight	405.386
Molweight	405.386
MonoisotopicMass	405.063072
CLogP	1.0388
CLogS	-3.143
H Acceptors	10
H Donors	1
TotalSurfaceArea	278.81
Relative PSA	0.39486
PolarSurfaceArea	146.98
Druglikeness	-1.6703
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	1
Amides	2
AcidicOxygens	1
StereoCon

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