이름: α-(2-benzoyloxy-5-sulfonylphenylazo)-β-benzoyloxycinnamonitrile
SMILES:
N#CC(N=NC1=CC(=S(=O)=O)CC=C1OC(=O)c1ccccc1)=C(OC(=O)c1ccccc1)c1ccccc1Molecular Processing
Molecular formula
C29H19N3O6S
Molecular weight
537.55
Exact mass
537.0995
XLogP
5.27
TPSA
135.25
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.034
Molar refractivity
142.26
Supplementary Information
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