|
MOLfile descriptor
|
CHEMINF_000114 |
|
|
GGA Indigo
|
CHEMINF_000356 |
|
|
aromaticity
|
CHEMINF_000115 |
|
|
execution of GGA Indigo
|
CHEMINF_000357 |
|
|
atomic connectivity index
|
CHEMINF_000116 |
|
|
molar volume calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000358 |
|
|
Wiener path number
|
CHEMINF_000117 |
|
|
density calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000359 |
|
|
formal charge descriptor
|
CHEMINF_000118 |
|
|
partial charge descriptor
|
CHEMINF_000119 |
|
|
defined atom stereocenter count generated by the pubchem software library
|
CHEMINF_000370 |
|
|
defined bond stereocenter count generated by pubchem software library
|
CHEMINF_000371 |
|
|
bond multiplicity descriptor
|
CHEMINF_000130 |
|
|
isotope atom count generated by pubchem software library
|
CHEMINF_000372 |
|
|
heavy atom count generated by pubchem software library
|
CHEMINF_000373 |
|
|
bond length descriptor
|
CHEMINF_000132 |
|
|
undefined atom stereocenter count generated by the pubchem software library
|
CHEMINF_000374 |
|
|
electronegativity descriptor
|
CHEMINF_000122 |
|
|
organic carbon adsorption coefficient at pH 7.4 calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000364 |
|
|
bioconcentration factor at pH 5.5 calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000365 |
|
