SMILES:
CCCCc1ncc(/C=C(\Cc2cccs2)C(N)=O)n1Cc1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H24N4O3S
Molecular weight
424.53
Exact mass
424.1569
XLogP
4.36
TPSA
104.05
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
118.23
Supplementary Information
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