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)	1.72	2.99	-49.3	4	4	1	66	237.323	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.78	11.14	-9.23	0	8	0	95	412.501	6	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	64 - 68	Acros Organics
Purity	95%	Fluorochem
Purity	97%	Fluorochem
Hazard	C: Corrosive	Acros Organics
H phrase	H312: Harmful in contact with skin	Acros Organics
H phrase	H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H332: Harmful if inhaled; H302: Harmful if swallowed	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns.	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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat	Acros Organics