SMILES:
Cc1nc(C)c2c(n1)CCNC2Molecular Processing
Molecular formula
C9H13N3
Molecular weight
163.22
Exact mass
163.1109
XLogP
0.74
TPSA
37.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
46.92
Supplementary Information
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