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)	1.50	3.82	-4.02	0	1	0	13	105.14	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.50	4.1	-29.77	1	1	1	14	106.148	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Boiling_Point	58-61?/12mm	Alfa-Aesar
Boiling_Point	58-61°/12mm	Alfa-Aesar
BP	59 / 12	TCI
Boiling_Point	61?/12mm	Alfa-Aesar
BP [°C]	62 - 65 (p=15 torr)	Acros Organics
H phrase	H317: May cause an allergic skin reaction	Acros Organics
H phrase	H317: May cause an allergic skin reaction; H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled; H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation; H226: Flammable liquid and vapor	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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P308 + P313: IF exposed o	Acros Organics
R phrase	R10: Flammable.	Acros Organics
R phrase	R10: Flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R34: Causes burns.; R43: May cause sensitisation by skin contact.	Acros Organics
Hazard	T: Toxic	Acros Organics