SMILES:
Oc1cccc2c1CN(Nc1ccncc1)C2Molecular Processing
Molecular formula
C13H13N3O
Molecular weight
227.27
Exact mass
227.1059
XLogP
2.13
TPSA
48.39
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
65.21
Supplementary Information
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