이름: 72
SMILES:
CC(=O)OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C18H18Cl2N2O7
Molecular weight
445.26
Exact mass
444.0491
XLogP
2.67
TPSA
105.95
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
101.4
Supplementary Information
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