Cc1cccc(-c2nn3c(c2B(O)O)CCC3)n1
SMILES: Cc1cccc(-c2nn3c(c2B(O)O)CCC3)n1

Molecular Processing

Molecular formula
C12H14BN3O2
Molecular weight
243.07
Exact mass
243.1179
XLogP
-0.12
TPSA
71.17
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
68.34

Supplementary Information

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