General
Preferred name
BENZALDEHYDE
Synonyms
Benzoic aldehyde ()
Benzenecarboxaldehyde, Phenylmethanal, Benzoic aldehyde ()
Benzoic acid aldehyde ()
Benzaldehyde spirit ()
FEMA NO. 2127 ()
NSC-7917 ()
Nci-c56133 ()
P&D ID
PD014348
CAS
100-52-7
Tags
drug candidate
natural product
available
Drug indication
Pharmaceutic Aid (flavor)
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 ]]
Cell lines
1
Organisms
0
Compound Sets
4
ChEMBL Drugs
NPC Screening Collection
Selleckchem Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
106.04
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.5
TPSA
17.07
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
