General
Preferred name
Isonicotinamide
Synonyms
P&D ID
PD065622
CAS
1453-82-3
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 Isonicotinamide is used as pharmaceutical intermediate to synthesis Cefalonium, etc.
Compound Sets
1
Enamine Bioactive Compounds
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
122.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.18
TPSA
55.98
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data