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)	1.63	2.07	-7.37	1	2	0	44	119.123	0	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.63	2.84	-41.65	0	2	-1	47	118.115	0	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	149 (p=14 torr)	Acros Organics
BP	149 / 14	TCI
Boiling_Point	149?/14mm	Alfa-Aesar
BP	149°/14 mm	Fluorochem
Boiling_Point	149°/14mm	Alfa-Aesar
MP	53 - 55	Enamine Building Blocks
MP	53...55	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks
Melting_Point	92-95?	Alfa-Aesar
Melting_Point	92-95°	Alfa-Aesar
MP	93°	Fluorochem
purity	95	Enamine Building Blocks
Mp [°C]	95 - 98	Acros Organics
Purity	95+%	Matrix Scientific
MP	96-98°	Oakwood Chemical
MP	97	TCI
Purity	98%	Fluorochem
H phrase	H312: Harmful in contact with skin	Acros Organics
H phrase	H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled	Acros Organics
Warnings	IRRITANT	Matrix Scientific
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection	Acros Organics
P phrase	P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	Acros Organics
S phrase	S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).	Acros Organics
Hazard	XN: Harmful	Acros Organics