BIAdb 10-Trifluoromethylaporphine 1009

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BIAdb 10-Trifluoromethylaporphine 1009
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	48701
Chemical data
Formula	C₁₈H₁₇ClF₃N
Mol. mass	339.78249
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

339.78249

*Exact Mass

339.100162

*Molecular Formula

C₁₈H₁₇ClF₃N

*IUPAC NAME

N/A

*Canonical Smiles

C[NH+]1CCC2=CC=CC3=C2C1CC4=C3C=C(C=C4)C(F)(F)F.[Cl-]

*Isomeric Smiles

C[NH+]1CCC2=CC=CC3=C2[C@@H]1CC4=C3C=C(C=C4)C(F)(F)F.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

0

*Topological Polar Surface Area

4.4