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)	2.30	5.1	-46.42	0	2	-1	40	141.19	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.30	3.98	-6.33	1	2	0	37	142.198	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	242 - 244	Acros Organics
Boiling_Point	242-244?	Alfa-Aesar
Boiling_Point	242-244°	Alfa-Aesar
Mp [°C]	28 - 32	Acros Organics
Melting_Point	28-32?	Alfa-Aesar
Melting_Point	28-32°	Alfa-Aesar
MP	31 - 33	Enamine Building Blocks
MP	31...33	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Patent Database Links	EP1745791; US2008287482; WO2005092392	ChEBI
H phrase	H315: Causes skin irritation	Acros Organics
H phrase	H315: Causes skin irritation; H319: Causes serious eye 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