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)	2.00	5.49	-6.8	0	1	0	13	143.189	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.00	5.75	-26.14	1	1	1	14	144.197	0	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	2	Acros Organics
Melting_Point	2?	Alfa-Aesar
Melting_Point	2°	Alfa-Aesar
MP	9--3°	Oakwood Chemical
BP	105-107°/10mm	Oakwood Chemical
BP	247	TCI
Boiling_Point	247-248?	Alfa-Aesar
Boiling_Point	247-248°	Alfa-Aesar
BP [°C]	248	Acros Organics
Purity	95%	Fluorochem
Purity	95+%	Matrix Scientific
H phrase	H302: Harmful if swallowed; H312: Harmful in contact with skin	Acros Organics
H phrase	H341: Suspected of causing genetic defects	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; P270: Do not eat, drink or smoke when using this product; P301+ P312: IF SWALLOWED: Call a POISON CENTER or docto	Acros Organics
R phrase	R21/22: Harmful in contact with skin and if swallowed.	Acros Organics
S phrase	S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.	Acros Organics
Hazard	XN: Harmful	Acros Organics

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