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)	1.24	2.34	-7.39	1	5	0	75	169.136	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.97	13.34	-43.7	2	9	-1	128	637.819	16	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
MP	102 - 104	Enamine Building Blocks
MP	102-104°	Oakwood Chemical
MP	102...104	Enamine Building Blocks
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Purity	98%	Fluorochem
Mp [°C]	99 - 104	Acros Organics
Purity	99%	APIChem
H phrase	H319: Causes serious eye irritation	Acros Organics
H phrase	H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	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.; S37/39: Wear suitable gloves and eye/face protection.	Acros Organics
PUBCHEM_PATENT_ID	WO2000001692A1	IBM Patent Data
Hazard	XI: Irritant	Acros Organics