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	0.66	-45.55	3	4	1	53	194.258	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.24	0.53	-27.39	3	4	1	53	194.258	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.24	0.28	-7.51	2	4	0	51	193.25	2	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP [°C]	136 - 138 (p=0.38 torr)	Acros Organics
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Hazard	C: Corrosive	Acros Organics
H phrase	H318: Causes serious eye damage	Acros Organics
H phrase	H318: Causes serious eye damage; H302: Harmful if swallowed; H314: Causes severe skin burns and 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	S23: Do not breathe gas/fumes/vapour/spray.	Acros Organics
S phrase	S23: Do not breathe gas/fumes/vapour/spray.; 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	Acros Organics

ZINC 12

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