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)	-0.05	0.7	-41.45	3	2	1	41	109.152	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-0.05	0.97	-105.64	4	2	2	42	110.16	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	20	Acros Organics
Melting_Point	20?	Alfa-Aesar
Melting_Point	20°	Alfa-Aesar
BP	197°	Oakwood Chemical
Boiling_Point	202-204?	Alfa-Aesar
Boiling_Point	202-204°	Alfa-Aesar
BP [°C]	82 - 85 (p=12 torr)	Acros Organics
BP	95 / 16	TCI
Purity	98%	Fluorochem
Hazard	C: Corrosive	Acros Organics
H phrase	H302: Harmful if swallowed	Acros Organics
H phrase	H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H312: Harmful in contact with skin	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; 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	Acros Organics
R phrase	R21/22: Harmful in contact with skin and if swallowed.	Acros Organics
R phrase	R21/22: Harmful in contact with skin and if swallowed.; 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

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