Название: ( a )
SMILES:
CC1C=C2N(c3ccccc3)C(=O)c3cnc4[nH]ncc4c3N2N1Cc1ccco1Molecular Processing
Molecular formula
C22H18N6O2
Molecular weight
398.43
Exact mass
398.1491
XLogP
3.68
TPSA
81.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
6
Aromatic rings
4
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
111.42
Supplementary Information
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