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Compound Detail

CHEMBL4595269

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CC(C)(C)/[N+]([O-])=C/c1ccccc1S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595269
Phase Preclinical
Structure Type MOL
InChI Key UEDWDOQXHOTTRB-WQLSENKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
1.66
ALogP
3
HBA
1
HBD
80.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO4S
MW 257.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine