Identifier: MM102853

2D Structure
3D Structure
Source:
General
Identifier MM102853
SMILES CC(C)(C)C=CC=O
InChIKey JZJVARRPMMVFRQ-UHFFFAOYSA-N
MW [Da] 112.17

Automatically obtained from RDkit software.

LogP 1.79

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.