COC(=O)/C(Cc1ccc(C(=O)N2CCC(OC(C)=O)CC2)cc1)=C(\C(=O)OC)C(C)C
SMILES: COC(=O)/C(Cc1ccc(C(=O)N2CCC(OC(C)=O)CC2)cc1)=C(\C(=O)OC)C(C)C

Molecular Processing

Molecular formula
C24H31NO7
Molecular weight
445.51
Exact mass
445.2101
XLogP
2.7
TPSA
99.21
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
116.73

Supplementary Information

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