General
Preferred name
N-acetyl-5-Aminosalicylic Acid
Synonyms
P&D ID
PD117462
CAS
51-59-2
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
1
Cayman Chemical Bioactives
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
195.05
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.05
TPSA
86.63
Fraction CSP3
0.11
Chiral centers
0.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data