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)	0.40	4.61	-82.37	2	3	2	12	175.32	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.40	2.08	-33.9	1	3	1	11	174.312	6	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
MP	20	TCI
Mp [°C]	18	Acros Organics
Boiling_Point	199?	Alfa-Aesar
Boiling_Point	199°	Alfa-Aesar
BP [°C]	200	Acros Organics
BP	86 / 12	TCI
purity	9.500000000000000e+001	Enamine Building Blocks Enamine Building Blocks
Purity	95%	Fluorochem
Melting_Point	<-20?	Alfa-Aesar
Melting_Point	<-20°	Alfa-Aesar
Patent Database Links	EP1312605	ChEBI
H phrase	H302: Harmful if swallowed	Acros Organics
H phrase	H302: Harmful if swallowed; H311: Toxic in contact with skin; H314: Causes severe skin burns and eye damage	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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P302 + P350: IF ON SKIN:	Acros Organics
R phrase	R22: Harmful if swallowed.	Acros Organics
R phrase	R22: Harmful if swallowed.; R24: Toxic in contact with skin.; R34: Causes burns.	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.; S45: In case of accident or if you feel unwell, seek medical advice immediat	Acros Organics
Hazard	T: Toxic	Acros Organics

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