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)	1.15	5.6	-64.88	1	5	-1	82	272.158	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.15	4.77	-28.71	2	5	0	85	273.166	3	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	245	Acros Organics
MP	245°	Oakwood Chemical
Purity	97%	Matrix Scientific
H phrase	H335: May cause respiratory irritation	Acros Organics
H phrase	H335: May cause respiratory irritation; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation	Acros Organics
Warnings	Irritant	Matrix Scientific
P phrase	P302 + P352: IF ON SKIN: Wash with plenty of soap and water	Acros Organics
P phrase	P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p	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.; 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.	Acros Organics
Hazard	XN: Harmful	Acros Organics