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Compound Detail

CHEMBL1182893

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Cc1cc(-c2cc[n+](C)cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182893
Phase Preclinical
Structure Type MOL
InChI Key SMJQUANITFUAKT-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
2.19
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14NO+
MW 200.26
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine