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)	2.12	-0.68	-4.43	0	1	0	13	204.998	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.12	-0.52	-29.68	1	1	1	14	206.006	0	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP	102 / 25	TCI
BP [°C]	52 (p=0.9 torr)	Acros Organics
Melting_Point	52? dec	Alfa-Aesar
Purity	97%	Fluorochem
H phrase	H312: Harmful in contact with skin	Acros Organics
H phrase	H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation	Acros Organics
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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P340: IF INHALED: Remove to fresh air and keep at r	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.	Acros Organics
Hazard	XI: Irritant	Acros Organics
Hazard	XN: Harmful	Acros Organics

No pre-computed analogs available. Try a structural similarity search.