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)	2.37	2	-42.93	0	2	-1	40	191.54	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.75	-3.69	-43.58	1	7	-1	110	158.093	1	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Mp [°C]	153 - 158	Acros Organics
MP	154 - 157	Enamine Building Blocks
Melting_Point	154-157?	Alfa-Aesar
MP	154...157	Enamine Building Blocks
MP	155-157°	Matrix Scientific
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	97%	Matrix Scientific
Purity	98%	Fluorochem
H phrase	H318: Causes serious eye damage	Acros Organics
Warnings	IRRITANT	Matrix Scientific
P phrase	P280: Wear eye protection/face protection	Acros Organics
P phrase	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 rinsing; P310: Immediately call a POISON CENTER or doctor/physician	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.; R41: Risk of serious damage to eyes.	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
Hazard	XI: Irritant	Acros Organics

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

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