Structural Complex
Chemical ID: NFS
IUPAC Name: FE(4)-NI(1)-S(5) CLUSTER
Formal Charge: ?
Type: NON-POLYMER
Substructure
Substruture Type: MurckoScaffold
SMILES: [S-2]1[Fe][S-2]2[Fe]3[S-2]4[Fe]2[S-2]2[Fe]4[S-2]3[Ni@SP2]12
InChI: InChI=1S/4Fe.Ni.5S/q;;;;;5*-2
InChI Key: YCPXQDGGWARBTF-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: Fe4 Ni S5
Molecular weight: 442.398
Hydrogen Bond Acceptor: 1
Hydrogen Bond Donor: 0
Rotatable Bonds: 0
Heavy Atoms: 10