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)	0.31	0.81	-5.37	1	2	0	33	123.155	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.31	1.09	-30.62	2	2	1	34	124.163	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Melting_Point	8?	Alfa-Aesar
Melting_Point	8°	Alfa-Aesar
BP	139 / 40	TCI
BP [°C]	235 - 238	Acros Organics
Boiling_Point	235-238?	Alfa-Aesar
Boiling_Point	235-238°	Alfa-Aesar
MP	29 - 30	Enamine Building Blocks
MP	29...30	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	98%	APIChem
H phrase	H335: May cause respiratory irritation	Acros Organics
H phrase	H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye 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	S24/25: Avoid contact with skin and eyes.	Acros Organics
S phrase	S24/25: Avoid contact with skin and eyes.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
Hazard	XI: Irritant	Acros Organics