N#CC(N=Nc1cc(S(=O)(=O)Cl)ccc1OC(=O)c1ccccc1)=C(OC(=O)c1ccccc1)c1ccccc1
SMILES: N#CC(N=Nc1cc(S(=O)(=O)Cl)ccc1OC(=O)c1ccccc1)=C(OC(=O)c1ccccc1)c1ccccc1

Molecular Processing

Molecular formula
C29H18ClN3O6S
Molecular weight
572
Exact mass
571.0605
XLogP
6.67
TPSA
135.25
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0
Molar refractivity
146.23

Supplementary Information

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