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)	-1.11	-2.96	-36.67	4	2	1	48	76.119	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.11	-3.36	-3.53	3	2	0	46	75.111	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	173 - 176	Acros Organics
BP	173-176°	Oakwood Chemical
Boiling_Point	174-176?	Alfa-Aesar
Boiling_Point	174-176°	Alfa-Aesar
BP	175	TCI
Mp [°C]	8	Acros Organics
MP	8 °C	Indofine
Melting_Point	8?	Alfa-Aesar
Melting_Point	8°	Alfa-Aesar
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	95+%	Matrix Scientific
Purity	97%	Fluorochem
Purity	98%	Fluorochem
Hazard	C: Corrosive	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage	Acros Organics
H phrase	H318: Causes serious eye damage	Acros Organics
H phrase	H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage	Acros Organics
Warnings	IRRITANT	Matrix Scientific
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	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.