General
Preferred name
o-Phenylenediamine
Synonyms
P&D ID
PD011925
CAS
615-28-1
95-54-5
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)
DESCRIPTION o-Phenylenediamine has antibiotic activity. It also inhibits Factor Xa (IC50 = 3.5 nM). (Enamine Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
2
Enamine Bioactive Compounds
NIH Mechanistic Set
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
108.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
0.85
TPSA
52.04
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data