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)	0.07	1.02	-29.91	2	2	1	25	104.173	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	5.99	-47.34	6	7	1	112	389.483	4	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	85	Acros Organics
Melting_Point	85?	Alfa-Aesar
Melting_Point	85°	Alfa-Aesar
Boiling_Point	123-126?	Alfa-Aesar
Boiling_Point	123-126°	Alfa-Aesar
BP	125	TCI
BP [°C]	126	Acros Organics
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Hazard	C: Corrosive	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H226: Flammable liquid and vapor	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; 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	Acros Organics
R phrase	R10: Flammable.	Acros Organics
R phrase	R10: Flammable.; 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: Wear suitable protective clothing.; S45: In case of accident or if you feel unwell, seek medical advice i	Acros Organics

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