BIAdb MLS000860063 2695

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BIAdb MLS000860063 2695
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	23640911
Chemical data
Formula	C₁₉H₂₄BrNO₄
Mol. mass	410.30216
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

410.30216

*Exact Mass

409.088871

*Molecular Formula

C₁₉H₂₄BrNO₄

*IUPAC NAME

N/A

*Canonical Smiles

CCCN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.O.Br

*Isomeric Smiles

CCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.O.Br

*XLogP

N/A

*Hydrogen bond donor

4

*Hydrogen bond acceptor

5

*Rotational Bond Count

2

*Topological Polar Surface Area

64.9