5-[[(E)-2-phenylethenyl]sulfonylamino]benzene-1,3-dicarboxylate

Formula:C16H11NO6S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[(E)-2-phenylethenyl]sulfonylamino]benzene-1,3-dicarboxylate is a drug-like molecule.

MolName	5-[[(E)-2-phenylethenyl]sulfonylamino]benzene-1,3-dicarboxylate
MolecularFormula	C16H11NO6S
Smiles	[O-]C(c1cc(NS(/C=C/c2ccccc2)(=O)=O)cc(C([O-])=O)c1)=O
InChI	InChI=1S/C16H13NO6S/c18-15(19)12-8-13(16(20)21)10-14(9-12)17-24(22,23)7-6-11-4-2-1-3-5-11/h1-10,17H,(H,18,19)(H,20,21)/p-2
InChIK	PIVKKOHQYLJNQI-UHFFFAOYSA-L
TotalMolweight	345.33
Molweight	345.33
MonoisotopicMass	345.030709
CLogP	-2.6972
CLogS	-4.405
H Acceptors	7
H Donors	1
TotalSurfaceArea	250.12
Relative PSA	0.37854
PolarSurfaceArea	134.81
Druglikeness	-6.9508
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	8
Amides	1
AcidicOxygens	2
StereoCon

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