General
Preferred name
Betanin
Synonyms
P&D ID
PD102437
CAS
7659-95-2
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Betanin (Betanine) is a natural red-violet food dye obtained from beets.
Compound Sets
1
Other bioactive compounds
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
550.14
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
8
Rotatable Bonds
8
Ring Count
4
Aromatic Ring Count
1
cLogP
-1.79
TPSA
247.11
Fraction CSP3
0.42
Chiral centers
7.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data