BIAdb D003 SIGMA 1980

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BIAdb D003 SIGMA 1980
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	11957528
Chemical data
Formula	C18H20ClNO2
Mol. mass	317.8099
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

317.8099

*Exact Mass

317.118257

*Molecular Formula

C₁₈H₂₀ClNO₂

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC)O.Cl

*Isomeric Smiles

CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC)O.Cl

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

3

*Rotational Bond Count

1

*Topological Polar Surface Area

32.7

[edit] External Links

• Pubchem

Link to BIAdb Database