SMILES:
COc1ccc(C(=O)NC2(C(=O)O)CC3CCC2O3)cc1OCCc1cccc(C)c1Molecular Processing
Molecular formula
C24H27NO6
Molecular weight
425.48
Exact mass
425.1838
XLogP
3.13
TPSA
94.09
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
113.72
Supplementary Information
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