Identifier: MM170029

2D Structure
3D Structure
Source:
General
Identifier MM170029
SMILES C#CC(=O)C=COCC
InChIKey RXHZJKCIXBQSNI-UHFFFAOYSA-N
MW [Da] 124.14

Automatically obtained from RDkit software.

LogP 0.74

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.