SMILES:
c1nc(CNC2CCNC2)cc2c1OCCO2Molecular Processing
Molecular formula
C12H17N3O2
Molecular weight
235.29
Exact mass
235.1321
XLogP
0.3
TPSA
55.41
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
63.34
Supplementary Information
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