이름: compound
SMILES:
CCCOc1ccccc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1Molecular Processing
Molecular formula
C20H24N4O2
Molecular weight
352.44
Exact mass
352.1899
XLogP
3.84
TPSA
72.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
100.78
Supplementary Information
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