Molecule Input via JME


Molecule smiles

mol file

   

 

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bonds -,=,# rings 3..8, Ph is 1, furyl 0 atoms C,N,O,P,S,F,L,B,I,H groups t - tert.butyl, ft - CF3, y - nitro, a - COOH, z - SO3H
d - delete Esc - return to the standard state (C, single bond)
molecule may by moved by "dragging" free space and rotated by pressing concurrently also the shift key


DiTaD RxnIP Hu Lab College of Pharmacy Wuhan University