C/C(O)=C(/C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2o1
SMILES: C/C(O)=C(/C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2o1

Molecular Processing

Molecular formula
C35H29N3O7S2
Molecular weight
667.77
Exact mass
667.1447
XLogP
6.42
TPSA
131.2
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
47
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
178.11

Supplementary Information

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