|
QSAR descriptor
|
CHEMINF_000064 |
|
|
hydrogen bond donor count calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000346 |
|
|
cycle basis
|
CHEMINF_000105 |
|
|
Boiling point at 760 mmHg pressure calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000347 |
|
|
systematic name
|
CHEMINF_000106 |
|
|
number of freely rotating bonds calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000348 |
|
|
polar surface area calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000349 |
|
|
atomic quality
|
CHEMINF_000108 |
|
|
trivial name
|
CHEMINF_000109 |
|
|
flash point calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000360 |
|
|
enthalpy of vaporization calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000361 |
|
|
vapour pressure calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000362 |
|
|
electronegativity
|
CHEMINF_000121 |
|
|
organic carbon adsorption coefficient at pH 5.5 calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000363 |
|
|
CML format specification
|
CHEMINF_000111 |
|
|
polarizability calculated by ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000353 |
|
|
polarizability
|
CHEMINF_000089 |
|
|
atomic QSAR descriptor
|
CHEMINF_000112 |
|
|
execution of ACD/Labs PhysChem software library version 12.01
|
CHEMINF_000354 |
|
|
execution of Pipeline Pilot
|
CHEMINF_000355 |
|
