SMILES:
CCCCOc1ncc(I)cc1C(=O)Nc1c(CC)nn(CCOC)c1C(N)=OMolecular Processing
Molecular formula
C19H26IN5O4
Molecular weight
515.35
Exact mass
515.103
XLogP
2.62
TPSA
121.36
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
117.31
Supplementary Information
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