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Compound Detail

CHEMBL1620080

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C[n+]1ccccc1/C=C/c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1620080
Phase Preclinical
Structure Type MOL
InChI Key RNCQKAIBZKEEJO-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

230.7
MW (Da)
3.33
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.70
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 C14H13ClN+
MW 230.72
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine