General
Preferred name
Ritalinic Acid
Synonyms
Ritalinic Acid (hydrochloride) (CRM) ()
P&D ID
PD018224
CAS
19395-41-6
19395-40-5
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
26
Properties
(calculated by RDKit )
Molecular Weight
219.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
2.0
TPSA
49.33
Fraction CSP3
0.46
Chiral centers
2.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
