PERISOXAL

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H0YBV6N85R

Structure

InChI Key XKFIQZCHJUUSBA-UHFFFAOYSA-N
Smiles OC(CN1CCCCC1)c2cc(on2)c3ccccc3.OC(CN4CCCCC4)c5cc(on5)c6ccccc6.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
InChI
InChI=1S/C16H20N2O2/c19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13/h1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N2O2
Molecular Weight 272.15
AlogP 2.86
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.5
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 2055-44-9
NORMAN SUSDAT
FDA SRS H0YBV6N85R
CONTENTS