Identifier: MM430877

2D Structure
3D Structure
Source:
General
Identifier MM430877
SMILES CC=CC=CC(C=O)=CC
InChIKey KHEXFLTUFSOZEB-UHFFFAOYSA-N
MW [Da] 136.19

Automatically obtained from RDkit software.

LogP 2.26

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.