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Compound Detail

CHEMBL4299881

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COc1cccc2c1-c1ccccc1[I+]2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4299881
Phase Preclinical
Structure Type MOL
InChI Key YKBFELLPNJONCK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.1
MW (Da)
-0.20
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.57
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 C13H10IO+
MW 309.13
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine