SMILES:
NCc1cccnc1C1CCNC1Molecular Processing
Molecular formula
C10H15N3
Molecular weight
177.25
Exact mass
177.1266
XLogP
0.62
TPSA
50.94
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
52.36
Supplementary Information
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