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)	0.24	-0.76	-4.58	1	2	0	33	59.068	0	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.51	-0.44	-1.6	0	2	0	29	59.068	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	115	Acros Organics
Boiling_Point	115-117?	Alfa-Aesar
Boiling_Point	115-117°	Alfa-Aesar
ALOGPS_SOLUBILITY	4.33e+01 g/l	DrugBank-experimental
Mp [°C]	44 - 46	Acros Organics
Patent Database Links	EP0949243	ChEBI
H phrase	H312: Harmful in contact with skin	Acros Organics
H phrase	H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H228: Flammable solid	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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P21	Acros Organics
R phrase	R10: Flammable.	Acros Organics
R phrase	R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	Acros Organics
S phrase	S16: Keep away from sources of ignition - No smoking.	Acros Organics
S phrase	S16: Keep away from sources of ignition - No smoking.; S24/25: Avoid contact with skin and eyes.	Acros Organics
Hazard	XN: Harmful	Acros Organics

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

ZINC 12

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