3,3'-difluorobenzaldazine   Click here for help

GtoPdb Ligand ID: 1424

Abbreviated name: DFB
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 24.72
Molecular weight 244.08
XLogP 5.06
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Fc1cccc(c1)C=NN=Cc1cccc(c1)F
Isomeric SMILES Fc1cccc(c1)/C=N/N=C/c1cccc(c1)F
InChI InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
InChI Key YYMCVDNIIFNDJK-BEQMOXJMSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel