MLS000028867

(Difference between revisions)

Revision as of 11:53, 10 December 2009

MLS000028867
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	6852389
Chemical data
Formula	C₁₇H₁₈ClNO₂
Mol. mass	303.78332
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

*Molecular Weight

303.78332

*Molecular Formula

C₁₇H₁₈ClNO₂

*IUPAC NAME

N/A

*Canonical Smiles

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

*Isomeric Smiles

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

*XLogP

N/A

*Topological Polar Surface Area

43.7

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	[http://crdd.osdd.net/raghava/biadb/detail.php?id=2061 Link to BIAdb Database]		[http://crdd.osdd.net/raghava/biadb/detail.php?id=2061 Link to BIAdb Database]
		+	[[Category:BIAdb]]