Identifier: MM142428

2D Structure
3D Structure
Source:
General
Identifier MM142428
SMILES C#CC(=O)CC(F)C=C
InChIKey OXYKQVNYCPPNFQ-UHFFFAOYSA-N
MW [Da] 126.13

Automatically obtained from RDkit software.

LogP 1.1

Automatically obtained from RDkit software.

Links

PubChem

N/A

DrugBank

N/A

ChEBI

N/A

PDB

N/A

ChEMBL

N/A

No data

Methods

Computed
QSAR
Simulated
Coarse grain MD

No data

No transporter data found.