SMILES:
COc1cccc(CCCCc2ccccc2OCCC2CCCCN2C(=O)OC(C)(C)C)c1Molecular Processing
Molecular formula
C29H41NO4
Molecular weight
467.65
Exact mass
467.3036
XLogP
6.82
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
136.77
Supplementary Information
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