COCOc1ccc2c3c1OC1C(N4C(=O)c5cccc(OC)c5C4=O)CCC4(O)C(C2)N(CC2CC2)CCC314
SMILES: COCOc1ccc2c3c1OC1C(N4C(=O)c5cccc(OC)c5C4=O)CCC4(O)C(C2)N(CC2CC2)CCC314

Molecular Processing

Molecular formula
C31H34N2O7
Molecular weight
546.62
Exact mass
546.2366
XLogP
2.91
TPSA
97.77
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40
Rings
8
Aromatic rings
2
Saturated rings
3
Aliphatic rings
6
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.548
Molar refractivity
142.91

Supplementary Information

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