General
Preferred name
FURFURAL
Synonyms
P&D ID
PD124142
CAS
98-01-1
Tags
available
drug candidate
Drug Status
investigational
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Furfural is used as a selective extraction agent, as a solvent, as an agent for vulcanization, as a nematicide and fungicide, as a flavoring agent in a variety of food products and alcoholic and non-alcoholic beverages, and as a component of commercial herbicides, insecticides, pesticides, antiseptics, disinfectors, and rust removers. (Enamine Bioactive Compounds)
Compound Sets
2
DrugBank
DB16856
Enamine Bioactive Compounds
EBC-03929
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
96.02
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.09
TPSA
30.21
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.49
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data