C1CN(CCN1)C2=C3C=NNC3=NC=C2Br
Nom: 5-bromo-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine
SMILES: C1CN(CCN1)C2=C3C=NNC3=NC=C2Br

Molecular Processing

Molecular formula
C10H12BrN5
Molecular weight
282.14
Exact mass
281.0276
XLogP
1.13
TPSA
56.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
66.67

Supplementary Information

InChIKey: WWPYJMYPKRMILH-UHFFFAOYSA-N
Synonymes
SCHEMBL4164895
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→