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)	2.50	0.95	-8.83	1	3	0	40	193.246	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.40	1.7	-38.79	2	3	1	41	194.254	3	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
MP	60	TCI
Mp [°C]	60 - 64	Acros Organics
MP	60-62 °C(lit.)	Indofine
MP	60-62°	Oakwood Chemical
Melting_Point	60-64?	Alfa-Aesar
Melting_Point	60-64°	Alfa-Aesar
MP	61-63o C	Indofine
MP	62 - 64	Enamine Building Blocks
MP	62...64	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	97%	APIChem
Purity	98%	Fluorochem
H phrase	H319: Causes serious eye irritation	Acros Organics
H phrase	H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation	Acros Organics
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
SOLUBILITY	Soluble in Chloroform	Indofine
Hazard	XI: Irritant	Acros Organics