Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.75	4.37	-48.72	0	3	-1	53	172.163	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.37	4.1	-9.51	2	6	0	77	382.46	8	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	253 - 257	Acros Organics
Melting_Point	253-255?	Alfa-Aesar
Melting_Point	253-255°	Alfa-Aesar
Purity	97%	Fluorochem
H phrase	H319: Causes serious eye irritation	Acros Organics
H phrase	H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation	Acros Organics
Warnings	IRRITANT	Matrix Scientific
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.	Acros Organics
UniProt Database Links	TRS1_STRTI	ChEBI
Patent Database Links	US2005004167; US2007197531; WO2005000247; WO2005047257; WO2005047258	ChEBI
Hazard	XI: Irritant	Acros Organics