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Compound Detail

CHEMBL3306365

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CC(=O)OCC[n+]1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306365
Phase Preclinical
Structure Type MOL
InChI Key LAWNEQSYVWOOLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
0.54
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H12NO2+
MW 166.20
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine