2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetic acid

Formula:C16H16NO5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetic acid is a drug-like molecule.

MolName	2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)acetic acid
MolecularFormula	C16H16NO5BrS
Smiles	Cc(cc1)ccc1N(CC(O)=O)S(c(cc1)cc(Br)c1OC)(=O)=O
InChI	InChI=1S/C16H16BrNO5S/c1-11-3-5-12(6-4-11)18(10-16(19)20)24(21,22)13-7-8-15(23-2)14(17)9-13/h3-9H,10H2,1-2H3,(H,19,20)
InChIK	SGYGAFPFBYZTPZ-UHFFFAOYSA-N
TotalMolweight	414.275
Molweight	414.275
MonoisotopicMass	412.993255
CLogP	1.993
CLogS	-4.03
H Acceptors	6
H Donors	1
TotalSurfaceArea	262.91
Relative PSA	0.25967
PolarSurfaceArea	92.29
Druglikeness	-4.4716
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	6
Symmetricatoms	3
Amides	1
AcidicOxygens	1
StereoCon

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