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)	1.72	-0.55	-9.32	2	3	0	58	152.149	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.72	0.23	-44.22	1	3	-1	60	151.141	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
MP	151-154°	Fluorochem
MP	155	TCI
MP	156 - 158	Enamine Building Blocks
Mp [°C]	156 - 159	Acros Organics
MP	156-158°	Oakwood Chemical
Melting_Point	156-159?	Alfa-Aesar
Melting_Point	156-159°	Alfa-Aesar
MP	156...158	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95+%	Matrix Scientific
Purity	97%	APIChem
Purity	98%	Fluorochem
H phrase	H335: May cause respiratory irritation	Acros Organics
H phrase	H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation	Acros Organics
Warnings	IRRITANT	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	S24/25: Avoid contact with skin and eyes.	Acros Organics
Hazard	XI: Irritant	Acros Organics