CN(CCC(=O)OC1CCC2(C)C(C1)C(=NO)CC1C3CCC(=O)C3(C)CCC12)C(=O)OCc1ccccc1
SMILES: CN(CCC(=O)OC1CCC2(C)C(C1)C(=NO)CC1C3CCC(=O)C3(C)CCC12)C(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C31H42N2O6
Molecular weight
538.69
Exact mass
538.3043
XLogP
5.61
TPSA
105.5
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.677
Molar refractivity
145.09

Supplementary Information

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