BIAdb 4-benzylisoquinoline 1049

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BIAdb 4-benzylisoquinoline 1049
Systematic (IUPAC) name
4-(phenylmethyl)isoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	640937
Chemical data
Formula	C₁₆H₁₃N
Mol. mass	219.28112
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

219.28112

*Exact Mass

219.104799

*Molecular Formula

C₁₆H₁₃N

*IUPAC NAME

4-(phenylmethyl)isoquinoline

*Canonical Smiles

C1=CC=C(C=C1)CC2=CN=CC3=CC=CC=C32

*Isomeric Smiles

N/A

*XLogP

4

*Hydrogen bond donor

0

*Hydrogen bond acceptor

1

*Rotational Bond Count

2

*Topological Polar Surface Area

12.9