General
Preferred name
PD165938
Synonyms
9(S)-HHC ()
9(R)-Hexahydrocannabinol ()
9(S)-Hexahydrocannabinol (CRM) ()
9(R)-Hexahydrocannabinol-d9 ()
9(S)-Hexahydrocannabinol-d9 ()
P&D ID
PD165938
CAS
36403-91-5
36403-90-4
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
316.24
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
1
cLogP
5.82
TPSA
29.46
Fraction CSP3
0.71
Chiral centers
3.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
