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)	2.07	-1.28	-3.2	0	2	0	22	188.024	1	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.07	-0.71	-29.22	1	2	1	23	189.032	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
BP	195	TCI
BP [°C]	80 (p=12 torr)	Acros Organics
Boiling_Point	80?/12mm	Alfa-Aesar
BP	80°/12mm	Matrix Scientific
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	97%	Matrix Scientific
Purity	98%	Fluorochem
H phrase	H302: Harmful if swallowed	Acros Organics
H phrase	H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation	Acros Organics
Warnings	IRRITANT	Matrix Scientific
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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing	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	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.	Acros Organics
Hazard	XN: Harmful	Acros Organics

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