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)	0.04	1.63	-16.02	1	3	0	46	110.116	1	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.04	1.57	-9.85	1	3	0	46	110.116	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.04	2.04	-35.77	2	3	1	47	111.124	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	165	Acros Organics
Melting_Point	166-170?	Alfa-Aesar
Melting_Point	166-170°	Alfa-Aesar
Purity	97%	Fluorochem
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; H302: Harmful if swallowed; H318: Causes serious eye damage	Acros Organics
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	R22: Harmful if swallowed.	Acros Organics
R phrase	R22: Harmful if swallowed.; R34: Causes burns.	Acros Organics
S phrase	S22: Do not breathe dust.	Acros Organics
S phrase	S22: Do not breathe dust.; 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, s	Acros Organics

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