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chemaxoncalctau

ChemAxon Tautomers calculator

Number of tautomers at the given pH

Options

Dominant tautomers

Takes dominant tautomers only

Rational tautomers

Takes rational tautomers only. Only effective when Dominant tautomers are selected.

pH

Considers pH effect at the given pH (blank: doesn’t consider pH effect)

Path length

Maximum allowed length of the tautomerization path in chemical bonds

Protect aromaticity

Calculated number of tautomers by retaining input aromatic system

Protect charge

Calculated number of tautomers by retaining input charges

Protect double bond stereo

Calculated number of tautomers by retaining input double bond stereo configurations

Protect all tetrahedral centers

Generate tautomers by retaining all input tetrahedral configurations

Protect labeled tetrahedral centers

Generate tautomers by retaining labeled input tetrahedral configurations

Protect ester groups

Generate tautomers by retaining ester groups

Exclude antiaromatic compounds

Generate tautomers by excluding antiaromatic compounds

Filter out symmetrical structures

Generate tautomers by filtering out symmetrical structures

chemaxoncalctau.txt · Last modified: 2012/10/15 11:16 by rkiss