1,2,3,4-TETRAHYDRO-1-NITRONAPHTHALENE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CQG6K5XA5P

Structure

InChI Key USQUNNYHRYDWDE-UHFFFAOYSA-N
Smiles O=[N+]([O-])C1C=2C=CC=CC2CCC1
InChI
InChI=1/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12NO2
Molecular Weight 177.08
AlogP 2.34
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 43.14
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 79817-66-6
NORMAN SUSDAT
FDA SRS CQG6K5XA5P
PubChem 3018262
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