CC(C)(C)OC(=O)N1Cc2cc3c(cc2CC1C(=O)O)OCC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3
SMILES: CC(C)(C)OC(=O)N1Cc2cc3c(cc2CC1C(=O)O)OCC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3

Molecular Processing

Molecular formula
C30H29Cl2NO7
Molecular weight
586.47
Exact mass
585.1321
XLogP
6.83
TPSA
94.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
149.45

Supplementary Information

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