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)	0.94	4.49	-44.56	2	4	1	46	201.29	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.20	7.38	-15.12	2	3	0	53	287.318	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
purity	9.500000000000000e+001	Enamine Building Blocks
Boiling_Point	90?/0.5mm	Alfa-Aesar
Boiling_Point	90°/0.5mm	Alfa-Aesar
BP [°C]	92 - 96 (p=0.5 torr)	Acros Organics
purity	95	Enamine Building Blocks
Purity	95%	Fluorochem
BP	95-110°/0.5mm	Oakwood Chemical
Purity	98%	Fluorochem
Purity	99%	Matrix Scientific
Hazard	C: Corrosive	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage	Acros Organics
Warnings	IRRITANT, KEEP COLD	Matrix Scientific
Warnings	Irritant/Refrigerate	Matrix Scientific
P phrase	P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting	Acros Organics
P phrase	P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r	Acros Organics
R phrase	R34: Causes burns.	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.; S45: In case of accident or if you feel unwell, seek medical advice immediat	Acros Organics