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)	1.67	3.53	-8.22	0	2	0	37	183.008	0	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.67	3.8	-34.7	1	2	1	38	184.016	0	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
MP	100-104°	Matrix Scientific
Purity	95%	Matrix Scientific
Purity	98%	Fluorochem
Mp [°C]	98.5 - 101	Acros Organics
H phrase	H312: Harmful in contact with skin	Acros Organics
H phrase	H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation	Acros Organics
Warnings	IRRITANT	Matrix Scientific
P phrase	P302 + P352: IF ON SKIN: Wash with plenty of soap and water	Acros Organics
P phrase	P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.	Acros Organics
R phrase	R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
S phrase	S22: Do not breathe dust.	Acros Organics
S phrase	S22: Do not breathe dust.; S20/21: When using do not eat, drink or smoke.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.	Acros Organics
melting_point	Solid	KeyOrganics
Hazard	XN: Harmful	Acros Organics

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