Название: compound
SMILES:
CC(C)(C)OC(=O)C[C@H](NC(=O)C1(C)CC(c2ccccc2)=NO1)C(=O)COC(=O)c1c(Cl)cccc1ClMolecular Processing
Molecular formula
C27H28Cl2N2O7
Molecular weight
563.43
Exact mass
562.1274
XLogP
4.52
TPSA
120.36
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
141.23
Supplementary Information
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