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)	1.18	5.2	-9.63	0	3	0	39	165.192	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.18	5.48	-30.78	1	3	1	40	166.2	4	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP	122 / 12	TCI
Boiling_Point	69-70?/0.05mm	Alfa-Aesar
Boiling_Point	69-70°/0.05mm	Alfa-Aesar
purity	9.500000000000000e+001	Enamine Building Blocks
BP [°C]	92 (p=3 torr)	Acros Organics
purity	95	Enamine Building Blocks
Purity	95%	Fluorochem
H phrase	H302: Harmful if swallowed	Acros Organics
H phrase	H302: Harmful if swallowed; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation	Acros Organics
melting_point	Oil	KeyOrganics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye	Acros Organics
R phrase	R22: Harmful if swallowed.	Acros Organics
R phrase	R22: Harmful if swallowed.; 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
Hazard	XN: Harmful	Acros Organics