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)	-0.55	4.38	-37.84	4	7	0	123	294.307	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.55	4.05	-46.82	3	7	-1	122	293.299	8	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	248 - 250	Acros Organics
PUBCHEM_PATENT_ID	EP0248084A1; EP0248084B1; EP0248594A2; EP0248594B1; EP0248597A2; EP0252721A1; EP0252721B1; EP0265226B1; EP0268383A1; EP0268383B1; EP0293220A2; EP0293220B1; EP0293221A2; EP0300503A2; EP0300503B1; EP0304483B1; EP0306469A1; EP0306469B1; EP0310658A1; EP031065	IBM Patent Data
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
Hazard	XI: Irritant	Acros Organics