SMILES:
COc1cc2c(cc1OC)C(=O)N(CCC1CCCN(CCCOc3ccc4c(c3)OCO4)C1)CC2.ClMolecular Processing
Molecular formula
C28H37ClN2O6
Molecular weight
533.07
Exact mass
532.234
XLogP
4.42
TPSA
69.7
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.536
Molar refractivity
142.86
Supplementary Information
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