Name: Compound 2
SMILES:
COCOc1ccc2c(c1)c(C(=O)O)c(C(C)C)n2Cc1ccccc1Molecular Processing
Molecular formula
C21H23NO4
Molecular weight
353.42
Exact mass
353.1627
XLogP
4.49
TPSA
60.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
101.03
Supplementary Information
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