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Compound Detail

CHEMBL3981732

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NC(=O)c1ccc[n+](-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981732
Phase Preclinical
Structure Type MOL
InChI Key HRXJGQHKZSDOAC-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
1.06
ALogP
1
HBA
1
HBD
47.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N2O+
MW 199.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.48

Data from ChEMBL 36 via Core Engine