CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(C(=O)Oc3ccccc3)cccc21
SMILES: CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2c(C(=O)Oc3ccccc3)cccc21

Molecular Processing

Molecular formula
C25H19NO6
Molecular weight
429.43
Exact mass
429.1212
XLogP
3.33
TPSA
74.3
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
32
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
114.96

Supplementary Information

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