SMILES:
NC1=NC2CCCc3cccc(c32)N1Molecular Processing
Molecular formula
C11H13N3
Molecular weight
187.25
Exact mass
187.1109
XLogP
1.8
TPSA
50.41
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
57.37
Supplementary Information
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