COC(=O)C(CCC(=O)NOC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)OC(C)(C)C
名称: compound
SMILES: COC(=O)C(CCC(=O)NOC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C31H35NO6
Molecular weight
517.62
Exact mass
517.2464
XLogP
5.33
TPSA
90.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
38
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
143.64

Supplementary Information

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