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Compound Detail

CHEMBL1182689

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C[N+]1=CC=C(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182689
Phase Preclinical
Structure Type MOL
InChI Key XQWOWMFNCZGEIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
2.19
ALogP
0
HBA
0
HBD
3.0
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 C12H14N+
MW 172.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.70

Data from ChEMBL 36 via Core Engine