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)	-0.68	1.2	-46.85	3	3	1	54	118.156	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.68	0.82	-4.63	2	3	0	52	117.148	4	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	55 - 57	Acros Organics
MP	67-70 °C(lit.)	Indofine
MP	67-70°	Matrix Scientific
Melting_Point	67-72?	Alfa-Aesar
Melting_Point	67-72°	Alfa-Aesar
MP	69	TCI
MP	70-72°	Matrix Scientific
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	96%	Fluorochem
Purity	98%	Matrix Scientific
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
Warnings	HYGROSCOPIC	Matrix Scientific
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	S22: Do not breathe dust.	Acros Organics
S phrase	S22: Do not breathe dust.; 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	XI: Irritant	Acros Organics