Identifier: MM171678

2D Structure
3D Structure
Source:
General
Identifier MM171678
SMILES CCC#CC=C(F)C#N
InChIKey HVGZLQFNAKFWDM-UHFFFAOYSA-N
MW [Da] 123.13

Automatically obtained from RDkit software.

LogP 1.78

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.