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Compound Detail

CHEMBL1182895

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C[n+]1ccc(-c2cccc(C(F)(F)F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182895
Phase Preclinical
Structure Type MOL
InChI Key VCROAADOBOBTPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
3.20
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.67
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 C13H11F3N+
MW 238.23
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine