SMILES:
O=C(NCc1ccc(O)cc1)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1Molecular Processing
Molecular formula
C23H19N7O2
Molecular weight
425.45
Exact mass
425.16
XLogP
3.5
TPSA
120.23
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.043
Molar refractivity
119.57
Supplementary Information
Details werden geladen…
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