3-[[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid

Formula:C16H15O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
MolecularFormula	C16H15O5Br
Smiles	COc1cc(CO)cc(Br)c1OCc1cc(C(O)=O)ccc1
InChI	InChI=1S/C16H15BrO5/c1-21-14-7-11(8-18)6-13(17)15(14)22-9-10-3-2-4-12(5-10)16(19)20/h2-7,18H,8-9H2,1H3,(H,19,20)
InChIK	RYXWREBTQIBCOP-UHFFFAOYSA-N
TotalMolweight	367.194
Molweight	367.194
MonoisotopicMass	366.010286
CLogP	2.5507
CLogS	-3.706
H Acceptors	5
H Donors	2
TotalSurfaceArea	241.88
Relative PSA	0.24491
PolarSurfaceArea	75.99
Druglikeness	-3.515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
AcidicOxygens	1
StereoCon

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