SMILES:
CCc1nn(C2CCCC2)c(N)c1C#NMolecular Processing
Molecular formula
C11H16N4
Molecular weight
204.28
Exact mass
204.1375
XLogP
2.01
TPSA
67.63
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
58.24
Supplementary Information
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