Identifier: MM179362

2D Structure
3D Structure
Source:
General
Identifier MM179362
SMILES C#CC(=CC=O)NC=N
InChIKey IMNFPWHWPGXWBW-UHFFFAOYSA-N
MW [Da] 122.13

Automatically obtained from RDkit software.

LogP -0.1

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.