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)	1.79	4.31	-48.27	3	1	1	28	190.188	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.40	3.56	-74.74	7	10	1	158	421.485	4	↓ MOL2 SDF SMILES Flexibase

Note Type	Comments	Provided By
Boiling_Point	113?/22mm	Alfa-Aesar
BP	77-79°/14mm	Fluorochem
Purity	98%	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; H318: Causes serious 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	R34: Causes burns.	Acros Organics
S phrase	S25: Avoid contact with eyes.	Acros Organics
S phrase	S25: Avoid contact with eyes.; 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 immediately (show the label where possible).	Acros Organics

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TAAR1-2-E	Trace Amine-associated Receptor 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3950	0.58	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
TAAR1_HUMAN	Q96RJ0	Trace Amine-associated Receptor 1, Human	3950	0.58	Functional ≤ 10μM

Description	Species
Amine ligand-binding receptors	Homo sapiens (TAAR1_HUMAN)
G alpha (s) signalling events	Homo sapiens (TAAR1_HUMAN)