CCCNc1nc(C#N)c(C#N)nc1CC(C)C
SMILES: CCCNc1nc(C#N)c(C#N)nc1CC(C)C

Molecular Processing

Molecular formula
C13H17N5
Molecular weight
243.31
Exact mass
243.1484
XLogP
2.24
TPSA
85.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
68.78

Supplementary Information

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