PHENCYNONATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H84F112WBJ

Structure
InChI Key ROZOEEGFKDFEFP-UHFFFAOYSA-N
Smile CN1CC2CCCC(C1)C2OC(=O)C(O)(c1ccccc1)C1CCCC1
InChI
InChI=1S/C22H31NO3/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31NO3
Molecular Weight 357.49
AlogP 3.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 26.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4299850
FDA SRS H84F112WBJ
PubChem 9821970
SureChEMBL SCHEMBL16509305
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