SMILES:
c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(C2CC2)o1Molecular Processing
Molecular formula
C20H17N5O
Molecular weight
343.39
Exact mass
343.1433
XLogP
4.43
TPSA
80.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
96.57
Supplementary Information
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