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Compound Detail

CHEMBL3559272

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C[n+]1c(/C=C/c2cc([N+](=O)[O-])ccc2O)ccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559272
Phase Preclinical
Structure Type MOL
InChI Key UQYBSKWIKGGLOS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
3.45
ALogP
3
HBA
1
HBD
67.2
PSA (Ų)
0.46
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 C18H15N2O3+
MW 307.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine