SMILES:
CC(C)(C)Cn1c(CBr)cc2cnc(C#N)nc21Molecular Processing
Molecular formula
C13H15BrN4
Molecular weight
307.2
Exact mass
306.048
XLogP
3.24
TPSA
54.5
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
74.33
Supplementary Information
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