COc1cc2c(cc1OC)C1(CNC2)Cc2ccccc2O1.O=C(O)/C=C\C(=O)O
SMILES: COc1cc2c(cc1OC)C1(CNC2)Cc2ccccc2O1.O=C(O)/C=C\C(=O)O

Molecular Processing

Molecular formula
C22H23NO7
Molecular weight
413.43
Exact mass
413.1475
XLogP
2.35
TPSA
114.32
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.273
Molar refractivity
108.12

Supplementary Information

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